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Ligand

NameCHEMBL336749
Molecular formulaC23H19FN4O2
IUPAC name1-(4-fluorophenyl)-3-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea
Molecular weight402.429
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.0
SynonymsSCHEMBL9867659
AMWVZOVNBJVEHM-UHFFFAOYSA-N
BDBM50043558
1-(4-Fluoro-phenyl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-urea
N-(2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-N'-(4-fluorophenyl)-urea
Inchi KeyAMWVZOVNBJVEHM-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H19FN4O2/c1-28-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)26-21(22(28)29)27-23(30)25-17-13-11-16(24)12-14-17/h2-14,21H,1H3,(H2,25,27,30)
PubChem CID10341040
ChEMBLCHEMBL336749
IUPHARN/A
BindingDB50043558
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
9325Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
9326Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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