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Ligand

NameCHEMBL424076
Molecular formulaC25H20N4O2
IUPAC name1-(3-ethynylphenyl)-3-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea
Molecular weight408.461
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.7
SynonymsBDBM50043549
1-(3-Ethynyl-phenyl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-urea
Inchi KeyAIVDZTLFSHLRMS-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H20N4O2/c1-3-17-10-9-13-19(16-17)26-25(31)28-23-24(30)29(2)21-15-8-7-14-20(21)22(27-23)18-11-5-4-6-12-18/h1,4-16,23H,2H3,(H2,26,28,31)
PubChem CID44356801
ChEMBLCHEMBL424076
IUPHARN/A
BindingDB50043549
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
6548Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
6547Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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