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Ligand

NameCHEMBL368818
Molecular formulaC38H42N4O4S
IUPAC nameN-[2-[4-(4-methyl-1,4-diazepan-1-yl)-4-oxobutoxy]-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]-2-phenylbenzamide
Molecular weight650.838
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.8
SynonymsBiphenyl-2-carboxylic acid [2-[4-(4-methyl-[1,4]diazepan-1-yl)-4-oxo-butoxy]-4-(5,6,7,8-tetrahydro-thieno[3,2-b]azepine-4-carbonyl)-phenyl]-amide
BDBM50137949
Inchi KeyAOIRKVVLTNNALR-UHFFFAOYSA-N
Inchi IDInChI=1S/C38H42N4O4S/c1-40-20-10-21-41(24-23-40)36(43)16-9-25-46-34-27-29(38(45)42-22-8-7-15-35-33(42)19-26-47-35)17-18-32(34)39-37(44)31-14-6-5-13-30(31)28-11-3-2-4-12-28/h2-6,11-14,17-19,26-27H,7-10,15-16,20-25H2,1H3,(H,39,44)
PubChem CID11763684
ChEMBLCHEMBL368818
IUPHARN/A
BindingDB50137949
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
10274Vasopressin V2 receptorQ00788Avpr2Rattus norvegicus (Rat)371
10275Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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