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Ligand

NameCHEMBL432009
Molecular formulaC36H34ClN3O2
IUPAC nameN-[4-[(12S)-6-chloro-2,10-diazatetracyclo[11.2.2.02,12.04,9]heptadeca-4(9),5,7-triene-10-carbonyl]phenyl]-2-(4-methylphenyl)benzamide
Molecular weight576.137
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP7.4
SynonymsSCHEMBL5525159
BDBM50119808
N-[4-[[(6aS)-2-Chloro-7,10-ethano-5,6,6abeta,7,8,9,10,12-octahydropyrido[2,1-c][1,4]benzodiazepine-5-yl]carbonyl]phenyl]-4'-methylbiphenyl-2-carboxamide
1N-{4-[6-chloro-16-ethyl-(12S)-2,10-diazatetracyclo[11.2.1.02,12.04,9]hexadeca-4(9),5,7-trien-10-ylcarbonyl]phenyl}-2-(4-methylphenyl)benzamide
Inchi KeyAKOQGOCLYOOSEU-UOTLIPSBSA-N
Inchi IDInChI=1S/C36H34ClN3O2/c1-23-6-8-24(9-7-23)31-4-2-3-5-32(31)35(41)38-29-15-10-26(11-16-29)36(42)40-22-34-25-12-17-30(18-13-25)39(34)21-27-20-28(37)14-19-33(27)40/h2-11,14-16,19-20,25,30,34H,12-13,17-18,21-22H2,1H3,(H,38,41)/t25?,30?,34-/m1/s1
PubChem CID44335241
ChEMBLCHEMBL432009
IUPHARN/A
BindingDB50119808
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7744Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
7745Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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