Target Poor or Non Binder(s) Information

Target General Information

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Target ID

T55948

Target Info

Target Name

Organic cation transporter 3 (OCT3)

Synonyms

Solute carrier family 22 member 3; Extraneuronal monoamine transporter; EMTH

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Target Type

Literature-reported Target

Gene Name

SLC22A3

UniProt ID

O75751

Poor Binders of This Target (in total, 8 binders)

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Compound Name

Mitoxantrone

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Approved

Compound Info

Synonyms

DHAD; DHAQ; Dihydroxyanthraquinone; MIX; Misostol; Mitoxanthrone; Mitoxantron; Mitoxantrona; Mitoxantronum; Mitozantrone; DHAQ HCl; Mitoxantrone [INN]; Mitozantrone hydrochloride; Mitoxantrone 2HCl; Liposome Encapsulated Mitoxantrone (LEM); Misostol (TN); Mitoxantrona [INN-Spanish]; Mitoxantrone (INN); Mitoxantrone (free base); Mitoxantronum [INN-Latin]; Novantrone (TN); AN-584/42007670; Novantrone(R) (mitoxantrone for injection concentrate); DHAQ (*Diacetate salt*); MITOXANTRONE, Mitoxantrone Hydrochloride, Mitoxantrone dihydrochloride, MITOXANTHRONE HYDROCHLORIDE; MITOXANTRONE, 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)ANTHRA-9,10-QUINONE; 1,4-Bis(2-(2-hydroxyethylamino)ethyl)amino)-5,8-dihydroxyanthraquinone; 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE; 1,4-Dihydroxy-5,8-bis(2-((2-hydroxyethyl)amino)ethylamino)-9,10-anthracenedione; 1,4-Dihydroxy-5,8-bis(5-hydroxy-3-azapentylamino)anthrachinon; 1,4-Dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione; 1,4-Dihydroxy-5,8-bis[[2-[(2-hydroxyethyl)amino]ethyl]amino]-9,10-anthracenedione; 1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthra-9,10-quinone; 1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione; 5,8-Bis((2-((2-hydroxyethyl)amino)ethyl)amino)-1,4-dihydroxyanthraquinone; 9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis((2-((2-hydroxyethyl)amino)ethyl)amino)-(9CI)

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Activity

IC50 = 60500 nM

[1]

Compound Name

Irinotecan

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Approved

Compound Info

Synonyms

Biotecan; Camptosar; Irinotecanum; IRINOTECAN HYDROCHLORIDE Trihydrate; Irinotecan Hcl; Irinotecan hydrochloride; CP0; Biotecan (TN); Campto (TN); Camptosar (TN); Irinotecan (INN); Irinotecan [INN:BAN]; Irinotecanum [INN-Latin]; IRINOTECAN, CPT-11; Camptosar, Campto, CPT-11, Irinotecan; (+)-Irinotecan; (4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-TETRAHYDRO-1H-PYRANO[3',4':6,7]INDOLIZINO[1,2-B]QUINOLIN-9-YL 1,4'-BIPIPERIDINE-1'-CARBOXYLATE; (4S)-4,11-Diethyl-4-hydroxy-3,14-dioxo-4,12-dihydro-1H-pyrano[3,4-f]quinolino[2,3-a]indolizin-9-yl 4-piperidylpiperidinecarboxylate; Irinotecan (TOPO1 inhibitor); Onivyde

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Activity

IC50 = 74600 nM

[1]

Compound Name

Clonidine

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Approved

Compound Info

Synonyms

clonidine; Clonidin; Duraclon; Chlornidinum; 4205-90-7; Catapres-TTS; Catarpresan; Catarpres; Adesipress; Catapres; Catapressan; Catapresan; ST 155BS; ST-155-BS; Clonidinum; Clonidina; Clonidinum [INN-Latin]; Clonidinhydrochlorid; CATAPRES-TTS-3; CATAPRES-TTS-1; CATAPRES-TTS-2; N-(2,6-Dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine; Isoglaucon; 2-(2,6-Dichloroanilino)-2-imidazoline; Dixarit; SKF 34427; Catapres- TTS; Clonidina [INN-Spanish]; M-5041T; Hemiton; CLORPRES; clonidine (amino form); Adesipress; Clofenil; Clopheline; Duraclont; Gemiton; Klofelin; Klofenil; M 5041T; Catapres (TN); Catarpres-TTS; ST-155BS; Tenso-Timelets; Catarpres-TTS (TN); Clonidine [USAN:BAN:INN]; Clonidine (JAN/USAN/INN); 1H-Imidazol-2-amine, N-(2,6-dichlorophenyl)-4,5-dihydro-(9CI); 2,6-Dichloro-N-2-imidazolidinylidenebenzenamine; 2,6-dichloro-N-(2-imidazolidinylidene)aniline; 2,6-dichloro-N-2-imidazolidinylidenebenzenamide; 2,6-dichloro-N-imidazolidin-2-ylideneaniline; 2-((2,6-Dichlorophenyl)imino)imidazolidine; 2-(2,6-Dichloroanilino)-1,3-diazacyclopentene-(2);2-(2,6-Dichloroanilino)-2-imidazoline; 2-(2,6-Dichlorophenylamino)-2-imidazoline; 2-(2,6-Dichlorophenylimino)imidazolidine; 2-Imidazoline, 2-(2,6-dichloroanilino)-(7CI,8CI); 2-[(2,6-Dichlorophenyl)imino]imidazoline; 2-[(2,6-dichlorophenyl)imino]-2-imidazoline; 734571A; 2,6-DICHLORO-N-IMIDAZOLIDIN-2-YLIDENEANILINE

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Activity

IC50 = 79300 nM

[2]

Compound Name

Pantoprazole

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Approved

Compound Info

Synonyms

Astropan; Pantoprazol; Pantoprazolum; Pantoprozole; Pantor; Pantozol; Protium; Protonix; Somac; Pantoprazole Na; Pantoprazole Sodium; Protonix IV; BY 1023; Astropan (TN); BY-1023; Controloc (TN); Inipomp (TN); Pantecta (TN); Pantoloc (TN); Pantopan (TN); Pantoprazol [INN-Spanish]; Pantoprazolum [INN-Latin]; Pantor (TN); Pantotab (TN); Pantozol (TN); Protium (TN); Protonix (TN); SK&F 96022; SK-96022; SKF-96022; Somac (TN); Ulcepraz (TN); Pantoprazole (USAN/INN); Pantoprazole [USAN:BAN:INN]; SK&F-96022; 5-(Difluoromethoxy)-2-(((3,4-dimethoxy-2-pyridyl)methyl)sulfinyl)benzimidazole; 5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole; 6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-1H-benzimidazole

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Activity

IC50 = 137000 nM

[1]

Compound Name

Ergotidine

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Approved

Compound Info

Synonyms

Eramin; Ergamine; Histamine; Histaminum; Istamina; Theramine; Free histamine; Histamine Base; Histamine [USAN]; Istamina [Italian]; H7125_SIGMA; [3H]histamine; ALBB-005968; Beta-Aminoethylglyoxaline; Beta-Aminoethylimidazole; Beta-aminothethylglyoxaline; Histamine (DCF); Histamine, Free Base; Histaminum (TN); L-histamine; ZERO/004089; Imidazole-4-ethylamine; Beta-Imidazolyl-4-ethylamine; F411C768-A159-4FC0-A195-291A08BB03AA; 1H-Imidazole-4-ethanamine; 1H-Imidazole-5-ethanamine; 2-(1H-Imidazol-4-yl)ethanamine; 2-(1H-imidazol-4-yl)ethan-1-amine; 2-(1H-imidazol-5-yl)ethanamine; 2-(3H-Imidazol-4-yl)-ethylamine; 2-(4-Imidazolyl)ethylamine; 2-Imidazol-4-ylethylamine; 2-[4-Imidazolyl]ethylamine; 4-(2-Aminoethyl)-1H-imidazole; 4-Imidazoleethylamine; 5-Imidazoleethylamine

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Activity

Ki = 140000 nM

[3]

Compound Name

MPP+

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Investigative

Compound Info

Synonyms

1-methyl-4-phenylpyridinium; cyperquat

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Activity

Ki = 54000 nM

[4]

Compound Name

1-Phenylguanidine

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Investigative

Compound Info

Synonyms

Phenylguanidine; N-Phenylguanidine; 2-phenylguanidine; GUANIDINE, PHENYL-; alpha-Phenylguanidine; N-Phenyl-guanidine; 1N-amino(immino)methylaniline; CHEMBL14047; EINECS 217-898-7; phenyl guanidine; Monophenylguanidin; N-phenyl guanidine; N-Phenylguanidine #; Guanidine, N-phenyl-; Phenylguanidine mononitrate; SCHEMBL256023; BDBM93095; DTXSID70173836; ALBB-019781; ZINC4276940; BDBM50053620; MFCD00092876; AKOS000266439; MCULE-1696687582; guanidine, N-phenyl-, carbonate(1:1); AM803464; AS-39432; SC-43561; L-4044; J-007368; Q27464460; F2158-0402

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Activity

IC50 = 99800 nM

[5]

Compound Name

Nifekalant

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Investigative

Compound Info

Synonyms

UNII-5VZ7GZM43E; 5VZ7GZM43E; CHEMBL360861; Nifekalant [INN]; NCGC00164637-01; SCHEMBL157527; DTXSID7048374; HMS2090C07; HMS3715M05; ZINC538083; BDBM50151866; AKOS022180678; CCG-221022; NCGC00164637-04; DB-041977; FT-0631131; AB00698502-07; AB00698502-09; 636N430; Q671772; SR-01000763409; SR-01000763409-3

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Activity

IC50 = 146000 nM

[1]

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Non Binders of This Target (in total, 6 non binders)

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Compound Name

Ritonavir

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Approved

Compound Info

Synonyms

Norvir; RIT; RTV; Norvir Sec; Ritonavir [USAN]; ABT 538; ABT 84538; ABT538; Abbott 84538; A-84538; ABBOTT-84538; ABT-538; DRG-0244; Norvir (TM); Norvir (TN); Ritonavir (JAN/USAN/INN); N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide; 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate; 5-Thiazolylmethyl ((alphaS)-alpha-((1S,3S)-1-hydroxy-3-((2S)-2-(3-((2-isopropyl-4-thiazolyl)methyl)-3-methylureido)-3-methylbutyramido)-4-phenylbutyl)phenethyl)carbamate; 5-Thiazolylmethyl ((alphaS)-alpha-((1S,3S-1-hydroxy-3-((2S)-2-(3-((2-isopropyl-4-thiazolyl)methyl)-3-methylureido)-3-methylbutyramido)-4-phenylbutyl)phenethyl)carbamate; 538, ABT

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Activity

IC50 > 300000 nM

[1]

Compound Name

Indinavir

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Approved

Compound Info

Synonyms

Crixivan; IDV; Indinavir [USAN]; L 735524; Crixivan (TM); Crixivan (TN); L-735 524; L-735524; MK-639; Propolis+Indinavir; RS-253; L-735,524; Indinavir, Sulfate (1:1); Indinavir (*1:1 Sulfate salt*); N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE; Propolis & 4-Hydroxy-N-(2-hydroxy-2,3-dihydro-1H-1-indanyl)-N'-(1,1-dimethylethyl)-2-phenylmethyl-5-[4-(3-pyridylmethyl)-1-piperzinyl]hexanediamide; (1(1S,2R),5(S))-2,3,5-Trideoxy-N-(2,3-dihydro-2-hydroxy-1H-inden-1-yl)-5-(2-(((1,1-dimethylethyl)amino)carbonyl)-4-(3-pyridinylmethyl)-1-piperazinyl)-2-(phenylmethyl)-D-erythro-Pentonamide; (2S)-1-[(2S,4S)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide

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Activity

IC50 > 500000 nM

[1]

Compound Name

Procainamide

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Approved

Compound Info

Synonyms

Biocoryl; Novocainamid; Novocainamide; Novocamid; Procainamida; Procainamidum; Procamide; Procan; Procanbid; Procapan; Pronestyl; Novocaine amide; Procaine amide; P-Aminobenzoic diethylaminoethylamide; Procainamida [INN-Spanish]; Procainamide (INN); Procainamide [INN:BAN]; Procainamidum [INN-Latin]; Procan (TN); Procanbid (TN); Procapan (free base); Pronestyl (TN); Pronestyl-Sr; P-Amino-N-(2-diethylaminoethyl)benzamide; Benzamide, 4-amino-N-(2-(diethylamino)ethyl)-(9CI); 2-Diethylaminoethylamid kyseliny p-aminobenzoove; 2-Diethylaminoethylamid kyseliny p-aminobenzoove [Czech]; 4-Amino-N-(2-(Diethylamino)Ethyl)Benzamide Sulfate; 4-Amino-N-(2-(diethylamino)ethyl)benzamide; 4-Amino-N-[2-(diethylamino)ethyl]benzamide; 4-amino-N-(2-diethylaminoethyl)-benzamide; 4-amino-N-(2-diethylaminoethyl)benzamide

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Activity

Ki = 738000 nM

[4]

Compound Name

[14C]TEA

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Investigative

Compound Info

Synonyms

Tetraethylammonium; Tetrylammonium; TETRAETHYLAMMONIUM ION; Tetramon; tetraethylazanium; N,N,N-Triethylethanaminium; tetraethylamine; UNII-5AV7G7EIEE; Tetraetilammonio [Italian]; 66-40-0; 5AV7G7EIEE; BRN 1738225; CHEMBL9324; AMMONIUM, TETRAETHYL-; CHEBI:44296; C8H20N; Tetraetilammonio; [14C]-TEA; tetraethyl ammonium; AC1L1KAW; Lopac-T-2265; 77-98-5 (hydroxide); 71-91-0 (bromide); 56-34-8 (chloride); 68-05-3 (iodide); SCHEMBL16267; 4-04-00-00331 (Beilstein Handbook Reference); NEt4(+); GTPL4575; GTPL2343; Ethanaminium,; [14C]-TEA ; tetraethylammonium

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Activity

Ki = 1372000 nM

[4]

Compound Name

N-(4-Benzylphenyl)guanidine

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Investigative

Compound Info

Synonyms

CHEMBL272259; 2-(4-benzylphenyl)guanidine; SCHEMBL3775513; BDBM50261049

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Activity

IC50 = 452500 nM

[5]

Compound Name

Guanidine

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Investigative

Compound Info

Synonyms

Iminourea; Aminomethanamidine; Carbamidine; Carbamamidine; Guanidin; Imidourea; Aminoformamidine; UNII-JU58VJ6Y3B; Guanidine, free base; JU58VJ6Y3B; H2N-C(=NH)-NH2; Guanidine, Hydrochloride; EINECS 204-021-8; BRN 0506044; guanidine group; HSDB 7603; CHEMBL821; Epitope ID:140101; NCIOpen2_007946; 4-03-00-00148 (Beilstein Handbook Reference); (NH2)2C=NH; GTPL4783; DTXSID0023117; CTK0H9021; BCP26146; ZINC8101126; BDBM50420178; STL223269; AKOS009031425; DB00536; MCULE-1152750770; SBI-0207070.P001; FT-0626820; C17349; AB00053583_04; 113G008; Q183309; A9B89FF5-2922-47CC-82CE-AC4157B624AE; Ribavirin Impurity T; Iminourea;Diaminomethanimine;Guanidinebase;Carbamidine

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Activity

IC50 = 2200000 nM

[5]

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References

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REF 1

Discovery of potent, selective multidrug and toxin extrusion transporter 1 (MATE1, SLC47A1) inhibitors through prescription drug profiling and computational modeling. J Med Chem. 2013 Feb 14;56(3):781-795.

REF 2

Apical uptake of organic cations by human intestinal Caco-2 cells: putative involvement of ASF transporters. Naunyn Schmiedebergs Arch Pharmacol. 2001 Jan;363(1):40-9.

REF 3

Selective substrates for non-neuronal monoamine transporters. Mol Pharmacol. 1999 Jul;56(1):1-10.

REF 4

Structure, function, and regional distribution of the organic cation transporter OCT3 in the kidney. Am J Physiol Renal Physiol. 2000 Sep;279(3):F449-58.

REF 5

A new chemotype inhibitor for the human organic cation transporter 3 (hOCT3). Bioorg Med Chem Lett. 2017 Sep 15;27(18):4440-4445.

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