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Ligand

NameCHEMBL40668
Molecular formulaC26H21ClFN3O4
IUPAC nameethyl 2-[3-[(4-chlorobenzoyl)amino]-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate
Molecular weight493.919
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.7
Synonyms[3-(4-Chloro-benzoylamino)-5-(2-fluoro-phenyl)-2-oxo-2,3-dihydro-benzo[e][1,4]diazepin-1-yl]-acetic acid ethyl ester: 0.1C4H8O2
BDBM50019206
SCHEMBL9526340
(RS)-[3-(4-Chloro-benzoylamino)-5-(2-fluoro-phenyl)-2-oxo-2,3-dihydro-benzo[e][1,4]diazepin-1-yl]-acetic acid ethyl ester
[3-(4-Chloro-benzoylamino)-5-(2-fluoro-phenyl)-2-oxo-2,3-dihydro-benzo[e][1,4]diazepin-1-yl]-acetic acid ethyl ester
Inchi KeyBMWKQHPGKPJLPG-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H21ClFN3O4/c1-2-35-22(32)15-31-21-10-6-4-8-19(21)23(18-7-3-5-9-20(18)28)29-24(26(31)34)30-25(33)16-11-13-17(27)14-12-16/h3-14,24H,2,15H2,1H3,(H,30,33)
PubChem CID14208242
ChEMBLCHEMBL40668
IUPHARN/A
BindingDB50019206
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
27836Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
27835Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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