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Ligand

NameCHEMBL177248
Molecular formulaC37H44N4O3S
IUPAC nameN-[2-[4-[2-(dimethylamino)ethyl-methylamino]butoxy]-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]-2-phenylbenzamide
Molecular weight624.844
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.6
SynonymsBiphenyl-2-carboxylic acid [2-{4-[(2-dimethylamino-ethyl)-methyl-amino]-butoxy}-4-(5,6,7,8-tetrahydro-thieno[3,2-b]azepine-4-carbonyl)-phenyl]-amide
BDBM50137951
Inchi KeyCBWPDTJPGBXARO-UHFFFAOYSA-N
Inchi IDInChI=1S/C37H44N4O3S/c1-39(2)23-24-40(3)21-11-12-25-44-34-27-29(37(43)41-22-10-9-17-35-33(41)20-26-45-35)18-19-32(34)38-36(42)31-16-8-7-15-30(31)28-13-5-4-6-14-28/h4-8,13-16,18-20,26-27H,9-12,17,21-25H2,1-3H3,(H,38,42)
PubChem CID11262100
ChEMBLCHEMBL177248
IUPHARN/A
BindingDB50137951
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
38299Vasopressin V2 receptorQ00788Avpr2Rattus norvegicus (Rat)371
38300Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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