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Ligand

NameCHEMBL351891
Molecular formulaC25H20N6O4
IUPAC name1-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]urea
Molecular weight468.473
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.9
SynonymsBDBM50040678
1-((S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-[4-(5-oxo-4,5-dihydro-[1,2,4]oxadiazol-3-yl)-phenyl]-urea
Inchi KeyBNQCFNRZSLYOSO-JOCHJYFZSA-N
Inchi IDInChI=1S/C25H20N6O4/c1-31-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)27-22(23(31)32)28-24(33)26-17-13-11-16(12-14-17)21-29-25(34)35-30-21/h2-14,22H,1H3,(H2,26,28,33)(H,29,30,34)/t22-/m1/s1
PubChem CID136055865
ChEMBLCHEMBL351891
IUPHARN/A
BindingDB50040678
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
28329Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
28330Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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