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Ligand

NameCHEMBL70984
Molecular formulaC23H17BrFN3O2
IUPAC name4-bromo-N-[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
SynonymsBDBM50019181
4-Bromo-N-[5-(2-fluoro-phenyl)-1-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-benzamide
(S)-4-Bromo-N-[5-(2-fluoro-phenyl)-1-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-benzamide
Inchi KeyARRVGGQZILZZEJ-UHFFFAOYSA-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)
PubChem CID14208294
ChEMBLCHEMBL70984
IUPHARN/A
BindingDB50019181
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
12713Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444

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