Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T79062 | Target Info | |||
| Target Name | 5-HT 7 receptor (HTR7) | ||||
| Synonyms |
Serotonin receptor 7; 5HT7; 5-hydroxytryptamine receptor 7; 5-HT7 receptor; 5-HT7; 5-HT-X; 5-HT-7
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| Target Type | Clinical trial Target | ||||
| Gene Name | HTR7 | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 23 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
1-(1-Benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1782794
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| Activity |
Ki = 53703.18 nM
|
[1] | |||
| Compound Name |
Scutellarin
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Investigative | Compound Info | ||
| Synonyms |
Breviscapin; Scutellarein-7-glucuronide; Breviscapine; Scutellarein-7beta-D-glucuronide; Scutellarein-7beta-D-glucuronoside; Scutellarein-7-O-beta-D-glucuronide; UNII-16IGP0ML9A; SCUTELLAREIN 7-O-GLUCURONIDE; Scutellarein 7-O-beta-D-glucuronide; 16IGP0ML9A; CHEMBL487805; Scutellarine; Scutellarin,(S); MEGxp0_000554; SCHEMBL4211849; Scutellarin, analytical standard; CTK8F0578; DTXSID60921924; BCP11536; Flavone, 4',5,6,7-tetrahydroxy-, 7-beta-D-glucopyranuronoside; HY-N0751; BDBM50242284; MFCD01861503; s3810; ZINC21992916; AKOS016009652; AC-6073; CCG-269364; CCG-269365; CS-4273; BS-16838; SC-46566; AB0016413; N1753; A12117; W-2538; 740S018; Q410712; Breviscapin;Scutellarein-7-glucuronide;Scutellarin B; Q-100351
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| Activity |
IC50 = 63400 nM
|
[2] | |||
| Compound Name |
Chembl4166092
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Investigative | Compound Info | ||
| Synonyms |
BDBM50378180
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| Activity |
Ki = 71200 nM
|
[3] | |||
| Compound Name |
Chembl4174981
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Investigative | Compound Info | ||
| Synonyms |
BDBM50378186; STK786870; AKOS005621935; MCULE-8100586895; 3-benzyl-2-phenyl-5-(2-pyridylamino)-5-(trifluoromethyl)-3,5-dihydro-4H-imidazol-4-one; 3-benzyl-2-phenyl-5-(pyridin-2-ylamino)-5-(trifluoromethyl)-3,5-dihydro-4H-imidazol-4-one
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| Activity |
Ki = 84500 nM
|
[3] | |||
| Compound Name |
1-(5-Fluoro-1-benzothiophen-3-yl)-3-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1782798
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| Activity |
Ki = 91201.08 nM
|
[1] | |||
| Compound Name |
1-Phenyl-2,3,4,9-tetrahydro-1H-beta-carboline
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Investigative | Compound Info | ||
| Synonyms |
1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole; 1-Phenyl-tetrahydrocarboline; CHEMBL241083; CMLDBU00002587; CMLD2_000054; Oprea1_201098; Oprea1_407648; SCHEMBL274149; DTXSID40276762; ALBB-008773; BDBM50206179; STK505562; AKOS000558803; AKOS016050245; CCG-102255; MCULE-6546088378; NCGC00017826-02; AS-66675; FT-0673838; R4816; 1,2,3,4-Tetrahydro-1-phenyl-beta-carboline; 1-Phenyl-1,2,3,4-tetrahydro-beta-carboline; 1-Phenyl-2,3,4,9-tetrahydro-1H-b-carboline; SR-05000001242; 1-Phenyl-2,3,4,9-tetrahydro-1H-beta-carboline #; SR-05000001242-1; 1-PHENYL-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOLE; 1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-1-phenyl-
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| Activity |
Ki = 97000 nM
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[4] | |||
| Compound Name |
1-(1-Benzothiophen-3-yl)-3-[4-[4-nitro-2-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]propan-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1782799
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| Activity |
Ki ~ 100000 nM
|
[1] | |||
| Compound Name |
2a-[4-(4-Cyclohexylpiperazin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL273890; BDBM50403783; 2a-[4-(4-Cyclohexylpiperazino)butyl]-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-2-one
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| Activity |
Ki = 100000 nM
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[5] | |||
| Compound Name |
4-[(3S)-3-[[3-(1-Benzothiophen-3-yl)-3-oxopropyl]amino]pyrrolidin-1-yl]benzonitrile
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1782805
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| Activity |
Ki ~ 100000 nM
|
[1] | |||
| Compound Name |
1-(Benzo[b]thiophene-3-yl)-3-[4-(4-nitrophenyl)piperazino]-1-propanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1782791; J3.616.671A
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| Activity |
Ki ~ 100000 nM
|
[1] | |||
| Compound Name |
1-(1-Benzothiophen-3-yl)-3-[[(3S)-1-[4-nitro-2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]propan-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1782804; BDBM50346445; 1-Benzo[b]thiophen-3-yl-3-[1-(4-nitro-2-trifluoromethylphenyl-(S)-pyrrolidin-3-ylamino)propan-1-one
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| Activity |
Ki ~ 100000 nM
|
[1] | |||
| Compound Name |
1-(1-Benzothiophen-3-yl)-3-[[(3R)-1-(4-nitrophenyl)pyrrolidin-3-yl]amino]propan-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1782792
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| Activity |
Ki ~ 100000 nM
|
[1] | |||
| Compound Name |
1-(1-Benzothiophen-3-yl)-3-[(3R)-3-(4-nitroanilino)pyrrolidin-1-yl]propan-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1782802
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| Activity |
Ki ~ 100000 nM
|
[1] | |||
| Compound Name |
1-(1-Benzothiophen-3-yl)-3-[[(3R)-1-(4-nitrophenyl)pyrrolidin-3-yl]amino]propan-1-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1782810
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| Activity |
Ki ~ 100000 nM
|
[1] | |||
| Compound Name |
1-(1-Benzothiophen-3-yl)-3-[[(3S)-1-(4-nitrophenyl)pyrrolidin-3-yl]amino]propan-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1782803
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| Activity |
Ki ~ 100000 nM
|
[1] | |||
| Compound Name |
(3S)-3-Methyl-1-[(3S)-3-methyl-4-naphthalen-1-ylsulfonylpentyl]piperidine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL345971; BDBM50474454
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| Activity |
Ki = 100000 nM
|
[5] | |||
| Compound Name |
4-[4-[3-(1-Benzothiophen-3-yl)-3-oxopropyl]piperazin-1-yl]benzonitrile
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1782797
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| Activity |
Ki ~ 100000 nM
|
[1] | |||
| Compound Name |
Falcarindiol
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Investigative | Compound Info | ||
| Synonyms |
(3R,8S)-Falcarindiol; (3S,8S)-Falcarindiol; (+)-(3R,8S)-Falcarindiol; AC1NQY3Z; (3R,8S,9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol; CHEMBL69018; 1,9-Heptadecadiene-4,6-diyne-3,8-diol; Heptadeca-1,9-diene-4,6-diyne-3,8-diol; SCHEMBL40935; HY-N1976; ZINC8214562; BDBM50071370; LMFA05000658; s3292; AKOS032948569; CS-0018296; W1875; C08449; Heptadeca-1,9(Z)-diene-4,6-diyne-3,8-diol; 297H875; Q-100631; Q5431681; (3R,8S,)-heptadeca-1,9-dien-4,6-diyne-3,8-diol; (3r,8s,9z)-heptadeca-1,9-dien-4,6-diyn-3,8-diol; (Z)-(3R,8S)-Heptadeca-1,9-diene-4,6-diyne-3,8-diol; (Z)-(3S,8S)-Heptadeca-1,9-diene-4,6-diyne-3,8-diol
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| Activity |
IC50 = 117500 nM
|
[6] | |||
| Compound Name |
(9Z,11S,16R)-Dihydroxyoctadeca-9,17-dien-12,14-diyn-1-yl acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL490698; 1-Acetoxy-9,17-octadecadiene-12,14-diyne-11,16-diol; BDBM50250299; ZINC38541767; (11s,16r,z)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl acetate; 11(s),16(r)-dihydroxyoctadeca-9z,17-diene-12,14-diyn-1-yl acetate; Acetic acid (9Z,11S,16R)-11,16-dihydroxy-9,17-octadecadiene-12,14-diynyl ester
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| Activity |
IC50 = 118100 nM
|
[6] | |||
| Compound Name |
3-Butylidenephthalide
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Investigative | Compound Info | ||
| Synonyms |
n-butylidenephthalide; Butylidenephthalide; (Z)-Butylidenephthalide; Ligusticum lactone; 1(3H)-Isobenzofuranone, 3-butylidene-, (3Z)-; (Z)-3-Butylidenephthalide; Z-butylidenephthalide; UNII-6GM611H175; (3Z)-3-butylidene-2-benzofuran-1-one; CHEMBL249592; (3Z)-3-Butylidene-2-benzofuran-1(3H)-one; 3-butylidene-2-benzofuran-1-one; 6GM611H175; NSC-325307; 3-Butylidene phthalide; (Z)-3-butylideneisobenzofuran-1(3H)-one; Phthalide, 3-butylidene-; 3-butylideneisobenzofuran-1-one; NSC 325307; 1(3H)-ISOBENZOFURANONE, 3-BUTYLIDENE-; MFCD00047319; e-butylidenephthalide; trans-3n-butylidenephthalide; 3-Butylidenephthalide, (E)-; SCHEMBL290482; DTXSID30993698; HY-N0336; ZINC1573356; 9108AF; BDBM50241315; NSC325307; s6493; SBB058020; 3-Butylideneisobenzofuran-1(3H)-one; (3Z)-3-butylideneisobenzofuran-1-one; AKOS024286816; ST096792; CS-0008897; 1(3H)-Isobenzofuranone,3-butylidene-,(3Z)-; A14633; C16924; Q27136726; UNII-2JL3MHX6ZE component WMBOCUXXNSOQHM-FLIBITNWSA-N; UNII-S9178G4B3F component WMBOCUXXNSOQHM-FLIBITNWSA-N; 3-Butylidenephthalide, mixture of cis and trans isomers, >=96%, FG
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| Activity |
IC50 = 126600 nM
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[6] | |||
| Compound Name |
Ikonnikoside I
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL512609; BDBM50250624; 7-glucuronyloxy-5,6,2''-trihydroxyflavone; 2',5,6-Trihydroxy-7-(beta-D-glucurono pyranosyloxy)flavone
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| Activity |
IC50 = 135000 nM
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[2] | |||
| Compound Name |
(8S,9Z)-8-Hydroxy-1-methoxy-9-heptadecene-4,6-diyne-3-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL479891; BDBM50259759; (S)-8-hydroxy-1-methoxy-, Z-9-heptadecene-4,6-diyn-3-one
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| Activity |
IC50 ~ 150000 nM
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[6] | |||
| Compound Name |
Dihydrobaicalin
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL467197; BDBM50250625; (2S)-5,6-Dihydroxy-7-(beta-D-glucurono pyranosyloxy)flavanone
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| Activity |
IC50 = 179000 nM
|
[2] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 7 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
BAICALEIN
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Phase 2 | Compound Info | ||
| Synonyms |
baicalein; 491-67-8; 5,6,7-Trihydroxyflavone; 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one; Noroxylin; Biacalein; BaiKalein; Baicelein; UNII-49QAH60606; NSC661431; NSC 661431; CHEMBL8260; 5,6,7-trihydroxy-2-phenylchromen-4-one; CHEBI:2979; FXNFHKRTJBSTCS-UHFFFAOYSA-N; MFCD00017459; 4H-1-Benzopyran-4-one, 5,6,7-trihydroxy-2-phenyl-; 49QAH60606; 5,7-Trihydroxyflavone; 5,6,7-trihydroxy-2-phenyl-chromen-4-one; Sho-saiko-to; SMR000112462; SR-01000597499; Baicalein, 8; Baicalein,(S); 3WL; Baicalein, 14; Baicalein, 98%; AC1NQYPP; Tocris-1761
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| Activity |
IC50 > 350000 nM
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[2] | |||
| Compound Name |
BAICALIN
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Terminated | Compound Info | ||
| Synonyms |
Baicalin; 21967-41-9; Baicalein 7-O-glucuronide; 7-D-Glucuronic acid-5,6-dihydroxyflavone; CHEBI:2981; CHEMBL485818; UNII-347Q89U4M5; 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid; Baicalin hydrate; 347Q89U4M5; (2S,3S,4S,5R,6S)-6-((5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid; 5,6,7-trihydroxyflavone 7-O-beta-D-glucuronide; BAICAILIN; beta-D-Glucopyranosiduronic acid, 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl; 31564-28-0
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| Activity |
IC50 > 200000 nM
|
[2] | |||
| Compound Name |
WOGONIN
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Investigative | Compound Info | ||
| Synonyms |
Wogonin; 632-85-9; 5,7-Dihydroxy-8-methoxyflavone; Vogonin; Norwogonin 8-methyl ether; UNII-POK93PO28W; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-methoxy-2-phenyl-; BRN 0287152; POK93PO28W; 5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-4-one; CHEMBL16171; FLAVONE, 5,7-DIHYDROXY-8-METHOXY-; CHEBI:10043; XLTFNNCXVBYBSX-UHFFFAOYSA-N; 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one; 5,7-Dihydroxy-8-methoxy-2-phenyl-chromen-4-one; ST077088; Q-100730; 5,7-dihydroxy-8-methoxy-2-phenyl-4H-1-benzopyran-4-one
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| Activity |
IC50 > 350000 nM
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[2] | |||
| Compound Name |
(4As,5R,10bR)-5-phenyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[h]isoquinoline-7,8-diol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1224527; BDBM50325822; trans-(5R)-5-phenyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[h]isoquinoline-7,8-diol
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| Activity |
Ki = 220000 nM
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[7] | |||
| Compound Name |
(E)-3-(Butylthio)-N-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methylene)-1H-inden-5-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL241283; BDBM50206181
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| Activity |
Ki > 300000 nM
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[4] | |||
| Compound Name |
N-[4-(6,7-Dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]quinoline-3-sulfonamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1917349; BDBM50357983
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| Activity |
Ki = 506829 nM
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[8] | |||
| Compound Name |
1-[2-Hydroxy-3-methyl-4-[[4-[4-(2H-tetrazol-5-yl)pyridin-2-yl]oxyphenyl]methoxy]phenyl]ethanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3899832; SCHEMBL3163790; BDBM50207400
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| Activity |
Ki > 3980000 nM
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[9] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Novel benzo[b]thiophene derivatives as new potential antidepressants with rapid onset of action. J Med Chem. 2011 Apr 28;54(8):3086-90. | ||||
| REF 2 | Inhibition of [3H]-LSD binding to 5-HT7 receptors by flavonoids from Scutellaria lateriflora. J Nat Prod. 2003 Apr;66(4):535-7. | ||||
| REF 3 | Structural insights into serotonin receptor ligands polypharmacology. Eur J Med Chem. 2018 May 10;151:797-814. | ||||
| REF 4 | M4 agonists/5HT7 antagonists with potential as antischizophrenic drugs: serominic compounds. Bioorg Med Chem Lett. 2007 May 1;17(9):2649-55. | ||||
| REF 5 | Optimization of the pharmacophore model for 5-HT7R antagonism. Design and synthesis of new naphtholactam and naphthosultam derivatives. J Med Chem. 2003 Dec 18;46(26):5638-50. | ||||
| REF 6 | Serotonergic activity-guided phytochemical investigation of the roots of Angelica sinensis. J Nat Prod. 2006 Apr;69(4):536-41. | ||||
| REF 7 | Facile synthesis of octahydrobenzo[h]isoquinolines: novel and highly potent D1 dopamine agonists. Bioorg Med Chem. 2010 Sep 15;18(18):6763-70. | ||||
| REF 8 | Arene- and quinoline-sulfonamides as novel 5-HT7 receptor ligands. Bioorg Med Chem. 2011 Nov 15;19(22):6750-9. | ||||
| REF 9 | Discovery of dual positive allosteric modulators (PAMs) of the metabotropic glutamate 2 receptor and CysLT1 antagonists for treating migraine headache. Bioorg Med Chem Lett. 2017 Jan 15;27(2):323-328. | ||||
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