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Ligand

NameCHEMBL165200
Molecular formulaC43H44ClN5O2
IUPAC nameN-[3-chloro-4-[9-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl]phenyl]-2-phenylbenzamide
Molecular weight698.308
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP7.3
SynonymsBiphenyl-2-carboxylic acid [4-(3-[1,4'']bipiperidinyl-1''-ylmethyl-5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10-carbonyl)-3-chloro-phenyl]-amide
N-[3-Chloro-4-[3-(4-piperidinopiperidinomethyl)-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-10-ylcarbonyl]phenyl]biphenyl-2-carboxamide
BDBM50087675
Inchi KeyBAZKFNFCVFOMJT-UHFFFAOYSA-N
Inchi IDInChI=1S/C43H44ClN5O2/c44-40-27-33(45-42(50)38-15-7-6-14-37(38)31-11-3-1-4-12-31)17-20-39(40)43(51)49-30-36-19-18-35(48(36)28-32-13-5-8-16-41(32)49)29-46-25-21-34(22-26-46)47-23-9-2-10-24-47/h1,3-8,11-20,27,34H,2,9-10,21-26,28-30H2,(H,45,50)
PubChem CID44378703
ChEMBLCHEMBL165200
IUPHARN/A
BindingDB50087675
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
19323Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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