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Ligand

NameCHEMBL140495
Molecular formulaC24H22FN3O2
IUPAC namebenzyl N-[[5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]methyl]carbamate
Molecular weight403.457
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.4
SynonymsSCHEMBL9525572
BDBM50013192
[5-(2-Fluoro-phenyl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-ylmethyl]-carbamic acid benzyl ester
Inchi KeyAHHXPJAEVZEJBL-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H22FN3O2/c25-21-12-6-4-10-19(21)23-20-11-5-7-13-22(20)26-14-18(28-23)15-27-24(29)30-16-17-8-2-1-3-9-17/h1-13,18,26H,14-16H2,(H,27,29)
PubChem CID15167797
ChEMBLCHEMBL140495
IUPHARN/A
BindingDB50013192
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5561Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
5562Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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