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Ligand

NameCHEMBL53234
Molecular formulaC23H17ClN6O
IUPAC name1-(4-chlorophenyl)-3-(6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl)urea
Molecular weight428.88
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.7
SynonymsSCHEMBL9470437
BCHJQEZRVVANRY-UHFFFAOYSA-N
1-(4-Chloro-phenyl)-3-(6-phenyl-4H-2,3,5,10b-tetraaza-benzo[e]azulen-4-yl)-urea
BDBM50023150
N-(4-Chlorophenyl)-N'-(6-phenyl-4H-[1,2,4]triazolo-[4,3-a][1,4]benzodiazepin-4-yl)urea
Inchi KeyBCHJQEZRVVANRY-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H17ClN6O/c24-16-10-12-17(13-11-16)26-23(31)28-21-22-29-25-14-30(22)19-9-5-4-8-18(19)20(27-21)15-6-2-1-3-7-15/h1-14,21H,(H2,26,28,31)
PubChem CID13953715
ChEMBLCHEMBL53234
IUPHARN/A
BindingDB50023150
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
20213Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
20214Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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