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Ligand

NameCHEMBL135988
Molecular formulaC21H24N4O2
IUPAC name1-tert-butyl-3-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea
Molecular weight364.449
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.4
SynonymsAKOS022170112
N-(2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-N'-(1,1-dimethylethyl)-urea
1-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-diazepin-3-yl)-3-(tert-butyl)urea
3-tert-butyl-1-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)urea
MolPort-028-934-051
[ Show all ]
Inchi KeyAPZXXGGVYQTMLV-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24N4O2/c1-21(2,3)24-20(27)23-18-19(26)25(4)16-13-9-8-12-15(16)17(22-18)14-10-6-5-7-11-14/h5-13,18H,1-4H3,(H2,23,24,27)
PubChem CID10361419
ChEMBLCHEMBL135988
IUPHARN/A
BindingDB50043542
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
11507Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
11508Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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