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Ligand

NameCHEMBL1907850
Molecular formulaC23H17BrFN3O2
IUPAC name4-bromo-N-[(3S)-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]benzamide
Molecular weight466.31
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM50367626
(3S)-1-Methyl-3-[(4-bromobenzoyl)amino]-5-(2-fluorophenyl)-1H-1,4-benzodiazepin-2(3H)-one
Inchi KeyARRVGGQZILZZEJ-OAQYLSRUSA-N
Inchi IDInChI=1S/C23H17BrFN3O2/c1-28-19-9-5-3-7-17(19)20(16-6-2-4-8-18(16)25)26-21(23(28)30)27-22(29)14-10-12-15(24)13-11-14/h2-13,21H,1H3,(H,27,29)/t21-/m1/s1
PubChem CID14208295
ChEMBLCHEMBL1907850
IUPHARN/A
BindingDB50367626
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
12711Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
12712Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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