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Ligand

NameCHEMBL137208
Molecular formulaC25H24N4O2
IUPAC name1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-[(1S)-1-phenylethyl]urea
Molecular weight412.493
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.8
SynonymsBDBM50043486
1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-(1-phenyl-ethyl)-urea
Inchi KeyAMJHJWQKGLQESV-NVHKAFQKSA-N
Inchi IDInChI=1S/C25H24N4O2/c1-17(18-11-5-3-6-12-18)26-25(31)28-23-24(30)29(2)21-16-10-9-15-20(21)22(27-23)19-13-7-4-8-14-19/h3-17,23H,1-2H3,(H2,26,28,31)/t17-,23?/m0/s1
PubChem CID10364355
ChEMBLCHEMBL137208
IUPHARN/A
BindingDB50043486
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
8943Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
8944Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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