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Ligand

NameCHEMBL70380
Molecular formulaC24H22N4O2
IUPAC name1-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea
Molecular weight398.466
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.8
Synonyms1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea((S)L365_260)
PDSP1_000882
BDBM50061220
Urea, N-(2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-N'-(3-methylphenyl)-, (S)-
L 365346
[ Show all ]
Inchi KeyKDFQABSFVYLGPM-JOCHJYFZSA-N
Inchi IDInChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m1/s1
PubChem CID9887120
ChEMBLCHEMBL70380
IUPHARN/A
BindingDB50061220
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
166345Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
166341Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447
166342Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453
166343Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452
166344Gastrin/cholecystokinin type B receptorP30552CCKBRCanis lupus familiaris (Dog)453

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