Target Poor or Non Binder(s) Information

Target General Information

Target ID

T51115

Target Info

Target Name

Voltage-gated calcium channel alpha Cav1.2 (CACNA1C)

Synonyms

Voltage-gated calcium channel subunit alpha Cav1.2; Voltage-dependent L-type calcium channel subunit alpha-1C; Calcium channel, L type, alpha-1 polypeptide, isoform 1, cardiac muscle; CCHL1A1; CACNL1A1; CACN2; CACH2

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Target Type

Successful Target

Gene Name

CACNA1C

Biochemical Class

Voltage-gated ion channel

UniProt ID

Q13936

Poor Binders of This Target (in total, 15 binders)

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Compound Name

Estradiol

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Approved

Compound Info

Synonyms

Aerodiol; Alora; Altrad; Aquadiol; Bardiol; Climaderm; Climara; Compudose; Corpagen; Dermestril; Destradiol; Dihydrofolliculin; Dihydromenformon; Dihydrotheelin; Dihydroxyesterin; Dihydroxyestrin; Dihydroxyoestrin; Dimenformon; Diogyn; Diogynets; Divigel; Elestrin; Encore; Esclim; Estrace; Estraderm; Estradiolo; Estradiolum; Estradot; Estraldine; Estrasorb; Estreva; Estrifam; Estring; Estroclim; Estrodiolum; Estrogel; Estrovite; Evamist; Evorel; Extrasorb; Femanest; Femestral; Femestrol; Fempatch; Femtran; Follicyclin; Gelestra; Ginedisc; Ginosedol; GynPolar; Gynergon; Gynestrel; Gynodiol; Gynoestryl; Innofem; Lamdiol; Macrodiol; Macrol; Menest; Menorest; Microdiol; Nordicol; Oesclim; Oestergon; Oestradiol; Oestradiolum; Oestrogel; Oestroglandol; Oestrogynal; Ovahormon; Ovasterol; Ovastevol; Ovociclina; Ovocyclin; Ovocycline; Ovocylin; Perlatanol; Polyestradiol; Primofol; Profoliol; Progynon; Syndiol; Systen; Tradelia; Trocosone; Vagifem; Vivelle; Zerella; Zesteem; Zesteen; Zumenon; Climara Forte; Component of Menrium; Estraderm MX; Estraderm TTS; Estradiolo [DCIT]; Estradiolum [INN]; Estring vaginal ring; Estrofem Forte; Oestradiol Berco; Oestradiol R; Progynon DH; Sandrena Gel; Sisare Gel; Trial SAT; CMC_11154; Compudose 200; Compudose 365; E 2; E 8875; E0025; Epiestriol 50; Estraderm TTS 100; Estraderm TTS 50; Estrapak 50; Estroclim 50; Estrofem 2; Sandrena 1; [3H]]estradiol; Activella (TN); Alora (TN); Alpha-Oestradiol; AngeliQ (TN); B-Estradiol; Beta-Estradiol; Beta-Oestradiol; Beta-estradiol; Cis-Estradiol; Cis-Oestradiol; Climara (TN); D-Estradiol; D-Oestradiol; Divigel (TN); E(sub 2); Elestrin (TN); Estrace (TN); Estraderm (TN); Estraderm TTS (TN); Estradiol [USAN:INN]; Estradiol acetate (TN); Estradiol cypionate (TN); Estradiol valerate (TN); Estradiol-17 beta; Estradiol-17beta; Estrasorb (TN); Estrasorb Topical (TN); Estring (TN); Estrofem (TN); Estrogel (TN); EvaMist (TN); Femring (TN); Innofem (TN); Menostar (TN); Oestradiol-17beta; Progynon-DH; Progynova (TN); S-21400; SK-Estrogens; SL-1100; VIVELLE-DOT; Vagifem (TN); Vivelle (TN); [3H]-estradiol; Estradiol-17-beta; Estradiol-3,17beta; Oestradiol-17-beta; Vivelle-Dot (TN); D-3,17beta-Estradiol; [2,4,6,7-3H]-E2; 17 beta-Estradiol; 17-.BETA.-Estradiol; 17-beta-OH-estradiol; 17-beta-estradiol; 17.beta.-Estradiol; 17.beta.-Oestradiol; 17b-Oestradiol; 17beta oestradiol; 17beta-Estradiol; 17beta-Oestradiol; 3,17-beta-Estradiol; 3,17-beta-Oestradiol; 3,17.beta.-Estradiol; 3,17beta-Estradiol

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Activity

IC50 = 50000 nM

[1]

Compound Name

Verapamil

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Approved

Compound Info

Synonyms

Arpamyl; Calan; Calcan; Cordilox; Dexverapamil; Dilacoran; Drosteakard; Iproveratril; Isoptimo; Isoptin; Isotopin; Vasolan; Veracim; Verapamilo; Verapamilum; Veraptin; Verexamil; Bosoptin (TN); Calan (TN); D-365; Isoptin (TN); Verapamilo [INN-Spanish]; Verapamilum [INN-Latin]; Verelan (TN); CP-16533-1; Covera-HS (TN); Verapamil (USAN/INN); Verapamil [USAN:BAN:INN]; Verapamil [USAN:INN:BAN]; Alpha-((N-Methyl-N-homoveratryl)-gamma-aminopropyl)-3,4-dimethoxyphenylacetonitrile; Alpha-Isopropyl-alpha-((N-methyl-N-homoveratryl)-gamma-aminopropyl)-3,4-dimethoxyphenylacetonitrile; Alpha-(3-((2-(3,4-Dimethoxyphenyl)ethyl)-methylamino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile; (+-)-Verapamil; (+/-)-VERAPAMIL; (1)-3-(3,4-Dimethoxyphenyl)-6-((5,6-dimethoxyphenethyl)methylamino)hexane-3-carbonitrile; 2-(3,4-Dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-(1-methylethyl) pentanenitrile; 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile; 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile; 5-((3,4-Dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile; 5-[(3,4-Dimethoxyphenethyl)methylamino]-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile; Verapamil (Na-Ca chanel blocker)

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Activity

IC50 = 50000 nM

[1]

Compound Name

Lacosamide

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Approved

Compound Info

Synonyms

Erlosamide; Harkoseride; Vimpat; Erlosamide [INN]; Lacosamide [USAN]; ADD 234037; SPM 927; ADD-234037; SPM-927; SPM-929; Erlosamide, Vimpat, Lacosamide; Lacosamide (USAN/INN); (2R)-2-(Acetylamino)-N-benzyl-3-methoxypropanamide; (2R)-2-(acetylamino)-N-benzyl-3-methoxypropanamide; (2R)-2-acetamido-N-benzyl-3-methoxypropanamide

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Activity

IC50 = 50118.72 nM

[2]

Compound Name

Duloxetine

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Approved

Compound Info

Synonyms

Yentreve; LY 248686; Cymbalta (TN); Duloxetine (INN); Duloxetine [INN:BAN]; Yentreve (TN); Duloxetine, (+)-isomer; (3S)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine; (3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine; (3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine; (S)-Duloxetine; (S)-N-Methyl-gamma-(1-naphthalenyloxy)-2-thiophenepropanamine

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Activity

IC50 = 100000 nM

[2]

Compound Name

Rhucin

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Approved

Compound Info

Synonyms

sildenafil; 139755-83-2; VIAGRA; Sildenafil [INN:BAN]; UK-92480; UNII-3M7OB98Y7H; UK-92,480-10; C22H30N6O4S; HSDB 7305; CHEMBL192; UK 92480-10; CHEBI:9139; 3M7OB98Y7H; 1-((3-(4,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-d)pyrimidin-5-yl)-4-ethoxyphenyl)sulfonyl)-4-methylpiperazine; BNRNXUUZRGQAQC-UHFFFAOYSA-N; 5-(2-Ethoxy-5-((4-methylpiperazin-1-yl)sulfonyl)phenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one; Sildenafil

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Activity

IC50 = 100000 nM

[2]

Compound Name

Risperidone

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Approved

Compound Info

Synonyms

Belivon; Risperdal; Risperdone; Risperidal; Risperidona; Risperidonum; Risperin; Rispolept; Rispolin; Sequinan; Risperdal Consta; Risperidona [Spanish]; Risperidonum [Latin]; R 62 766; R 64766; R64766; Consta, Risperdal; KS-1106; R 64,766; R-118; R-64766; R64,766; Risperdal (TN); Risperdal M-Tab; Risperidal M-Tab; Risperidone (RIS); Risperidone, placebo; R 64 766, Risperdal, Risperidone; R-64,766; R-64-766; Risperidone [USAN:BAN:INN]; Risperidone (JAN/USAN/INN); 3-(2-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidino)ethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one; 3-[2-[-4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one; 3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido [1,2-a] pyrimidin-4-one; 3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperi-dino]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]-pyrimidin-4-one; 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one; 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one; 3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-ethyl}-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one; 3-{2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one; 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one

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Activity

IC50 = 125000 nM

[1]

Compound Name

Phenytoin

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Approved

Compound Info

Synonyms

Aleviatin; Antisacer; Auranile; Causoin; Citrullamon; Citrulliamon; Comital; Comitoina; Convul; Danten; Dantinal; Dantoinal; Dantoine; Denyl; Difenilhidantoina; Difenin; Difetoin; Difhydan; Dihycon; Dihydantoin; Dilabid; Dilantin; Dilantine; Dillantin; Dintoin; Dintoina; Diphantoin; Diphedal; Diphedan; Diphenat; Diphenin; Diphenine; Diphentoin; Diphentyn; Diphenylan; Diphenylhydantoin; Diphenylhydantoine; Diphenylhydatanoin; Ditoinate; Ekko; Elepsindon; Enkelfel; Epamin; Epanutin; Epelin; Epifenyl; Epihydan; Epilantin; Epinat; Epised; Eptal; Eptoin; Fenitoin; Fenitoina; Fentoin; Fenylepsin; Fenytoine; Hidan; Hidantal; Hidantilo; Hidantina; Hidantomin; Hindatal; Hydantal; Hydantin; Hydantoinal; Hydantol; Idantoil; Idantoin; Iphenylhydantoin; Kessodanten; Labopal; Lehydan; Lepitoin; Lepsin; Minetoin; Neosidantoina; Novantoina; Novophenytoin; Oxylan; PHENYTEK; Phanantin; Phanatine; Phenatine; Phenatoine; Phenhydan; Phenhydanin; Phenitoin; Phentoin; Phentytoin; Phenytex; Phenytoine; Phenytoinum; Ritmenal; Saceril; Sanepil; Silantin; Sinergina; Sodanthon; Sodantoin; Sodanton; Solantin; Solantoin; Solantyl; Sylantoic;TOIN; Tacosal; Thilophenyl; Zentronal; Zentropil; Component of Mebroin; Dantoinal klinos; Difenilhidantoina [Spanish]; Dihydan toin; Dilantin acid; Diphenylhydantoine [French]; Ekko capsules; Elepsi ndon; Epdantoin Simple; Epdantoine simple; Epilan D; Extended Phenytoin Sodium; Fen toin; Fenantoin Mn Pharma; Fenidantoin s; Fenytoin Dak; Hidantina senosian; Hidantina vitoria; Ictalis simp le; Ictalis simple; Om hidantoina simple; Phenat ine; Phenytoin AWD; Sodium Diphenylhydantoinate; Taco sal; Toin unicelles; CL12003; D 4007; D4007_SIGMA; Didan TDC 250; Epasmir 5; IFLab1_000214; DILANTIN-30; DPH (VAN); Di-Hydan; Di-Lan; Di-Phetine; Dilantin (TN); Dilantin Infatabs (TN); Dilantin Kapseals (TN); Dilantin-125; Diphenylhydantoin (VAN); Epanutin (TN); Epasmir (5); Epilan-D; Eptoin (TN); Fenidantoin (s); Fenitoina [INN-Spanish]; Neos-Hidantoina; Om-Hydantoine; PHENYTOIN SODIUM, EXTENDED; Phenytek (TN); Phenytoin (PHN); Phenytoin-Gerot; Phenytoine [INN-French]; Phenytoinum [INN-Latin]; Di-Lan (VAN); Didan-tdc-250; Gerot-epilan-D; PHENYTOIN (5,5-DIPHENYLHYDANTOIN); Phenytoin (JP15/USP/INN); Phenytoin [USAN:INN:BAN:JAN]; Hydantoin, 5,5-diphenyl-(8CI); 2,4-Imidazolidinedione, 5,5-diphenyl-(9CI); 2-hydroxy-5,5-diphenyl-3,5-dihydro-4H-imidazol-4-one; 5,5-DIPHENYLHYDANTOIN; 5,5-Diphenyl-2,4-imidazolidinedione; 5,5-Diphenyl-imidazolidine-2,4-dione; 5,5-Diphenylhydantoin (IUPAC); 5,5-Diphenylhydantoin (phenytoin); 5,5-Diphenylimidazolidin-2,4-dione; 5,5-Dwufenylohydantoina; 5,5-Dwufenylohydantoina [Polish]; 5,5-diphenylimidazolidine-2,4-dione

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Activity

IC50 = 125000 nM

[1]

Compound Name

Dofetilide

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Approved

Compound Info

Synonyms

Dofetilida; Dofetilidum; Tikosyn; Xelide; UK 68798; Dofetilida [INN-Spanish]; Dofetilidum [INN-Latin];Tikosyn (TN); UK 68,798; UK-68798; Dofetilide [USAN:BAN:INN]; Tikosyn, UK68798, Dofetilide; UK-68,798; Dofetilide (JAN/USAN/INN); Beta-((p-Methanesulfonamidophenethyl)methylamino)methanesulfono-p-phenetidide; N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide; N-(4-{2-[methyl(2-{4-[(methylsulfonyl)amino]phenoxy}ethyl)amino]ethyl}phenyl)methanesulfonamide; Methanesulfonamide, N-(4-(2-(methyl(2-(4-((methylsulfonyl)amino)phenoxy)ethyl)amino)ethyl)phenyl); 1-(4-methanesulfonamidophenoxy)-2-(N-(4-methanesulfonamidophenethyl)-N-methylamine)ethane; 1-MSPMPE

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Activity

IC50 = 158489.32 nM

[2]

Compound Name

Alfuzosin

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Approved

Compound Info

Synonyms

Alfusosine; Alfuzosina; Alfuzosine; Alfuzosinum; Alphuzosine; Alfuzosina [Spanish]; Alfuzosine [French]; Alfuzosinum [Latin]; Alfuzosin (INN); Alfuzosin [INN:BAN]; Xatral (TN); N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide; N-(3-((4-Amino-6,7-dimethoxy-2-quinazolinyl)methylamino)propyl)tetrahydro-2-furancarboxamide; N-{3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)(methyl)amino]propyl}tetrahydrofuran-2-carboxamide

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Activity

IC50 = 199526.23 nM

[2]

Compound Name

Mibefradil

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Phase 1

Compound Info

Synonyms

Mibefradil (Cytostatic Checkpoint Therapy, ovarian cancer); Mibefradil (Cytostatic Checkpoint Therapy, ovarian cancer), Tau Therapeutics; Calcium T-channel inhibitor (Cytostatic Checkpoint Therapy, ovarian cancer), Tau Therapeutics

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Activity

IC50 = 108000 nM

[1]

Compound Name

PMID28460551-Compound-2

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Patented

Compound Info

Activity

IC50 = 79432.82 nM

[2]

Compound Name

MCL-1-specific antisense oligonucleotide + nilotinib (AMN107)

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Investigative

Compound Info

Synonyms

641571-10-0; UNII-F41401512X; Nilotinib (AMN-107); CHEMBL255863; CHEBI:52172; C28H22F3N7O; HHZIURLSWUIHRB-UHFFFAOYSA-N; NSC747599

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Activity

IC50 = 199526.23 nM

[2]

Compound Name

6-[({1-[2-(7-Methoxy-2-oxoquinoxalin-1(2H)-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

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Investigative

Compound Info

Synonyms

CHEMBL2165063; SCHEMBL708423; BDBM50395399

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Activity

IC50 = 92000 nM

[3]

Compound Name

5-[2-[4-[2-[4-(Tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one

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Investigative

Compound Info

Synonyms

CHEMBL2441437; SCHEMBL4549136; BDBM50442600

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Activity

IC50 ~ 100000 nM

[4]

Compound Name

[2-[(9R)-9-(2-Pyridyl)-6-oxaspiro[4.5]decane-9-yl]ethyl](2-thienylmethyl)amine

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Investigative

Compound Info

Synonyms

CHEMBL2443278; TRV0109101; (R)-2-(9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl)-N-(thiophen-2-ylmethyl)ethan-1-amine; SCHEMBL18333456; BDBM50493811; 2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]-N-(thiophen-2-ylmethyl)ethanamine

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Activity

IC50 ~ 100000 nM

[5]

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Non Binders of This Target (in total, 18 non binders)

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Compound Name

Vardenafil

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Approved

Compound Info

Synonyms

VDN; Levitra (TN); VARDENAFIL, LEVITRA; Vardenafil (INN); 1-((3-(3,4-Dihydro-5-methyl-4-oxo-7-propylimidazo(5,1-f)-as-triazin-2-yl)-4-ethoxyphenyl)sulfonyl)-4-ethylpiperazine; 2-(2-Ethoxy-5-(4-ethylpiperazin-1-yl-1-sulfonyl)phenyl)-5-methyl-7-propyl-3H-imidazo(5,1-f)(1,2,4)triazin-4-one; 2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-methyl-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-4-one; 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-5-METHYL-7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-4(1H)-ONE; 2-{2-ethoxy-5-[(4-ethylpiperazin-1-yl)sulfonyl]phenyl}-5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4-ol

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Activity

IC50 = 251188.64 nM

[2]

Compound Name

Dasatinib

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Approved

Compound Info

Synonyms

Sprycel (TN); BMS 354825; BMS-354825; BMS-354825, Sprycel, BMS354825, Dasatinib; BMS354825; Dasatinib (USAN); Dasatinib [USAN]; Dasatinib anhydrous; Dasatinib, BMS 354825; Dasatinibum; Sprycel; Spyrcel

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Activity

IC50 = 251188.64 nM

[2]

Compound Name

Palonosetron

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Approved

Compound Info

Synonyms

Aloxi; Onicit; Palonosetron [INN]; Aloxi (TN); RS 25233-197; RS 25259-197; RS-25233-197; RS-25259-197; (S-(R*,R*))-2-(1-Azabicyclo(2.2.2)oct-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benz(de)isoquinolin-1-one

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Activity

IC50 = 398107.17 nM

[2]

Compound Name

Tadalafil

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Approved

Compound Info

Synonyms

ADCIRCA; Acdirca; Cialis; Tadanafil; Lilly brand of tadalafil; Tadalafil [USAN]; GF 196960; IC 351; ICOS 351; Ic351; Cialis (TN); GF-196960; IC-351; KS-1117; Tadalafil (JAN/USAN/INN); Cialis, GF 196960, IC 351, ICOS 351, Tadalafil; (6R,12aR)-2,3,6,7,12,12a-Hexahydro-2-methyl-6-(3,4-(methylenedioxy)phenyl) pyrazino(1',2':1,6)pyrido(3,4-b)indole-1,4-dione; (6R,12aR)-2,3,6,7,12,12a-Hexahydro-2-methyl-6-(3,4-methylenedioxyphenyl)pyrazino(1',2':1,6)pyrido(3,4-b)indole-1,4-dione; (6R-trans)-6-(1,3-Benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydro-2-methyl-pyrazino(1',2':1,6)pyrido(3,4-b)indole-1,4-dione

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Activity

IC50 = 398107.17 nM

[2]

Compound Name

Paliperidone

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Approved

Compound Info

Synonyms

Xeplion; Invega Sustenna; Paliperidone palmitate; JNS-010; Paliperidone (depot injection, NanoCrystal); Paliperidone (injectable, NanoCrystal), Elan; Paliperidone (depot injection, NanoCrystal), Johnson & Johnson

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Activity

IC50 = 398107.17 nM

[2]

Compound Name

SILODOSIN

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Approved

Compound Info

Synonyms

Silodosin; 160970-54-7; Rapaflo; Urief; Silodyx; Urorec; KMD-3213; Silodosin-d6; UNII-CUZ39LUY82; KMD 3213; KAD 3213; CUZ39LUY82; CHEMBL24778; KAD-3213; (R)-1-(3-hydroxypropyl)-5-(2-((2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethyl)amino)propyl)indoline-7-carboxamide; 1-(3-hydroxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindole-7-carboxamide; 160970-64-9; Q-102517; Rapflo

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Activity

IC50 = 794328.23 nM

[2]

Compound Name

Exjade

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Approved

Compound Info

Synonyms

Deferasirox

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Activity

IC50 = 1000000 nM

[2]

Compound Name

Sotalol

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Approved

Compound Info

Synonyms

Sotalolum; Darob mite; Sotalol Monohydrochloride; Beta-Cardone; Betapace (TN); Betapace AF (TN); Darob mite (TN); MJ-1999; Sotacor (TN); Sotalex (TN); Sotalol (INN); Sotalol [INN:BAN]; Sotalolum [INN-Latin]; D,l-Sotalol; N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide; N-(4-{1-hydroxy-2-[(1-methylethyl)amino]ethyl}phenyl)methanesulfonamide; N-{4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl}methanesulfonamide; Methanesulfonamide, N-(4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)phenyl)-(9CI); 4'-(1-Hydroxy-2-(isopropylamino)ethyl)methane sulfonanilide; 4'-(1-Hydroxy-2-isopropylaminoethyl)methanesulfonanilid

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Activity

IC50 = 1023000 nM

[1]

Compound Name

Lamotrigine

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Approved

Compound Info

Synonyms

Crisomet; Labileno; Lamictal; Lamictin; Lamiktal; Lamitor; Lamotrigina; Lamotriginum; Desitin Brand of Lamotrigine; Faes Brand of Lamotrigine; Glaxo Wellcome Brand of Lamotrigine; GlaxoSmithKline Brand of Lamotrigine; Juste Brand of Lamotrigine; Lamictal Cd; Lamictal ODT; Lamictal XR; Lamotrigina [Spanish]; Lamotriginum [Latin]; BW 430C; GI 267119X; GW 273293; L 3791; BW-430C; EUR-1048; Lamictal (TN); Lamictin (TN); Lamotrigine [USAN:INN:BAN]; Lamotrigine (JAN/USAN/INN); 3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine; 3,5-Diamino-6-(2,3-dichlorophenyl)-as-triazine; 3,5-diamino-6-(2,3-dichlorophenyl)-as-triazine; 6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diamine; 6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diyldiamine; 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine

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Activity

IC50 = 1258925.41 nM

[2]

Compound Name

Darunavir

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Approved

Compound Info

Synonyms

206361-99-1; TMC114; Prezista; TMC-114; UIC-94017; Darunavirum; TMC 114; Darunavirum [INN-Latin]; UNII-YO603Y8113; AIDS073035; CHEMBL1323; (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE; CHEBI:367163; Darunavir-d9; YO603Y8113; (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-(4-amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate; NCGC00168773-01; (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl; Darunavirum; Darunavir [USAN]; UIC 94017; Prezista(TM); UIC-96017; Darunavir (USAN/INN); Carbamic acid, [(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester; {(1S,2R)-3-[(4-Amino-benzenesulfonyl)-isobutyl-amino]-1-benzyl-2-hydroxy-propyl}-carbamic acid (3R,3aS,6aR)-(hexahydro-furo[2,3-b]furan-3-yl) ester; [(S)-3-[(4-Amino-benzenesulfonyl)-isobutyl-amino]-2-hydroxy-1-((R)-phenylmethyl)-propyl]-carbamic acid (3R,3aS,6aR)-(hexahydro-furo[2,3-b]furan-3-yl) ester; N-((1S,2R)-3-(((4-Aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-benzylpropyl)((1S,2R,5R)-4,6-dioxabicyclo(330)oct-2-yloxy)carboxamide; [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate; (3-((4-aminobenzenesulfonyl)isobutylamino)-1-benzyl-2-hydroxypropyl)carbamic acid hexahydrofuro(2,3-b)furan-3-yl ester; (3R,3aS,6aR)-Hexahydrofuro(2,3-b)furan-3-yl N-((1S,2R)-1-benzyl-2-hydroxy-3-(N1-isobutylsulfanilamido)propyl)carbamate; (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-((1S,2R)-1-benzyl-2-hydroxy-3-(N(1)-isobutylsulfanilamido)propyl)carbamate; (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate; (3R,3aS,6aR)-tetrahydro-2H-furo[2,3-b]furan-3-yl (2S,3R)-4-(4-amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate; (3R,3aS,6aR)-tetrahydro-2H-furo[2,3-b]furan-3-yl (2S,3R)-4-(4-amino-N-neopentylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate

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Activity

IC50 = 1584893.19 nM

[2]

Compound Name

Darifenacin

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Approved

Compound Info

Synonyms

Enablex; Emselex; 133099-04-4; UNII-APG9819VLM; UK-88525; APG9819VLM; CHEMBL1346; CHEBI:391960; (S)-1-(2-(2,3-Dihydro-5-benzofuranyl)ethyl)-alpha,alpha-diphenyl-3-pyrrolidineacetamide; 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide; darifenacine; [3H]darifenacin; 2-{(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl}-2,2-diphenylacetamide; NCGC00168775-01; Darifenacin (USAN/INN); Darifenacinum; Darifenacina; Darifenacin [USAN:INN:BAN]; Emselex; Emselex (TN); Enablex (TN)

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Activity

IC50 = 1584893.19 nM

[2]

Compound Name

Halothane

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Approved

Compound Info

Synonyms

Alotano; Anestan; Bromchlortrifluoraethanum; Bromochlorotrifluoroethane; Chalothane; Fluktan; Fluorotane; Fluothane; Ftorotan; Ftuorotan; Halan; Halotan; Halotano; Halothan; Halothanum; Halsan; Narcotan; Narcotane; Narkotan; Phthorothanum; Rhodialothan; Alotano [DCIT]; Ftorotan [Russian]; CF3CHClBr; Freon 123B1; Fluothane (TN); Halotano [INN-Spanish]; Halothane [Anaesthetics, volatile]; Halothanum [INN-Latin]; Narcotann NE-spofa [Russian]; Narcotann ne-spofa; Halothane [INN:BAN:JAN]; Halothane (JP15/USP/INN); (+-)-2-Bromo-2-chloro-1,1,1-trifluoroethane; 1,1,1-Trifluoro-2-bromo-2-chloroethane; 1,1,1-Trifluoro-2-chloro-2-bromoethane; 1-Bromo-1-chloro-2,2,2-trifluoroethane; 2,2,2-Trifluoro-1-chloro-1-bromoethane; 2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE; 2-Brom-2-chlor-1,1,1-trifluorethan

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Activity

IC50 = 1800000 nM

[1]

Compound Name

Lapatinib

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Approved

Compound Info

Synonyms

FMM; Tycerb; Lapatinib Ditosylate; Lapatinib [INN]; Lapatinib tosilate hydrate; GSK 572016; GSK572016; GW 572016; GW 572016X; GW572016; Lapatinib (INN); Tykerb (TN); Lapatinib, Tykerb, GW572016; N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine; N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)-2-FURYL]-4-QUINAZOLINAMINE; N-(3-Chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-((2-methylsulfonylethylamino)methyl)-2-furyl)quinazolin-4-amine; N-(3-Chloro-4-{[(3-fluorophenyl)methyl]oxy}phenyl)-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)-2-furanyl]-4-quinazolinamine; 4-[[3-Chloro-4-(3-fluorobenzyloxy)phenyl]amino]-6-[5-[[(2-methanesulfonylethyl)amino]methyl]furan-2-yl]quinazoline; Lapatinib (ERBB2 inhibitor)

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Activity

IC50 = 1995262.31 nM

[2]

Compound Name

Ambrisentan

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Approved

Compound Info

Synonyms

Letairis; Ambrisentan [INN]; Gilead brand of ambrisentan; BSF 208075; BSF208075; LU 208075; LU208075; BSF-208075; LU-208075; Benzenepropanoic acid, .alpha.-[(4,6-dimethyl-2-pyrimidinyl)oxy]-.beta.-methoxy-.beta.-phe; (+-)-(2S)-2-((4,6-Dimethylpyrimidin-2-yl)oxy)-3-methoxy-3,3-diphenylpropanoic acid; 2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-propanoic acid; 2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoic acid; 2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid

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Activity

IC50 = 2511886.43 nM

[2]

Compound Name

Sitagliptin

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Approved

Compound Info

Synonyms

486460-32-6; Januvia; Xelevia; Sitagliptan; MK-0431; UNII-QFP0P1DV7Z; Tesavel; QFP0P1DV7Z; (3R)-3-AMINO-1-[3-(TRIFLUOROMETHYL)-5H,6H,7H,8H-[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7-YL]-4-(2,4,5-TRIFLUOROPHENYL)BUTAN-1-ONE; (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE; CHEBI:40237; (R)-3-AMINO-1-(3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL)-4-(2,4,5-TRIFLUOROPHENYL)BUTAN-1-ONE; Janumet; Sitagliptin phosphate; Januvia (TN); Sitagliptin (PropINN); Januvia (merck & Co); (3R)-3-Amino-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one; (3R)-3-amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)butan-1-one; (3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one; Sitagliptin/atovastatin

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Activity

IC50 = 100000000 nM

[2]

Compound Name

isobutylmethylxanthine

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Investigative

Compound Info

Synonyms

3-Isobutyl-1-methylxanthine; IBMX; 28822-58-4; 1-METHYL-3-ISOBUTYLXANTHINE; Methylisobutylxanthine; 3-Isobutyl-1-methyl-1H-purine-2,6(3H,7H)-dione; Xanthine, 3-isobutyl-1-methyl-; 3-Isobutyl-1-methyxanthine; 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-; Methyl-isobutylxanthine; 3-isobutyl-1-methylxanthine (ibmx); UNII-TBT296U68M; 3-Isobutyl 1-methylxanthine; NSC 165960; CCRIS 4290; CHEBI:34795; 1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione; 3-isobutyl-1-methyl-7H-xanthine; methylisobutylxanthine; 3-Isobutyl-1-methyl-3,9-dihydro-purine-2,6-dione; 3-ISOBUTYL-1-METHYLXANTHINE

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Activity

IC50 = 466000 nM

[1]

Compound Name

6H-Pyrimido[5,4-b][1,4]oxazin-7(8H)-one, 2-[[[trans-4-[(1R)-1-amino-2-(7-fluoro-2-oxo-1(2H)-quinoxalinyl)ethyl]cyclohexyl]amino]methyl]-

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Investigative

Compound Info

Synonyms

CHEMBL3355573; SCHEMBL1375934; SCHEMBL1375938; BDBM50023589; SB19220

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Activity

IC50 > 333000 nM

[3]

Compound Name

1-[(2S)-2-Amino-2-[(1r,4S)-4-[({3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-6-yl}methyl)amino]cyclohexyl]ethyl]-7-methoxy-1,2-dihydro-1,5-naphthyridin-2-one

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Investigative

Compound Info

Synonyms

CHEMBL3355575; SCHEMBL1375971; SCHEMBL1375976; BDBM50023582; SB19210

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Activity

IC50 > 333000 nM

[3]

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References

Top

REF 1

Predictive model for L-type channel inhibition: multichannel block in QT prolongation risk assessment. J Appl Toxicol. 2012 Oct;32(10):858-66.

REF 2

Prediction of Thorough QT study results using action potential simulations based on ion channel screens. J Pharmacol Toxicol Methods. Nov-Dec 2014;70(3):246-54.

REF 3

Optimization of physicochemical properties and safety profile of novel bacterial topoisomerase type II inhibitors (NBTIs) with activity against Pseudomonas aeruginosa. Bioorg Med Chem. 2014 Oct 1;22(19):5392-409.

REF 4

Discovery of a novel sub-class of ROMK channel inhibitors typified by 5-(2-(4-(2-(4-(1H-Tetrazol-1-yl)phenyl)acetyl)piperazin-1-yl)ethyl)isobenzofuran-1(3H)-one. Bioorg Med Chem Lett. 2013 Nov 1;23(21):5829-32.

REF 5

Structure-activity relationships and discovery of a G protein biased opioid receptor ligand, [(3-methoxythiophen-2-yl)methyl]({2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro-[4.5]decan-9-yl]ethyl})amine (TRV130), for the treatment of acute severe pain. J Med Chem. 2013 Oct 24;56(20):8019-31.

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