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Ligand

NameCHEMBL306166
Molecular formulaC23H18IN3O2
IUPAC name2-iodo-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)benzamide
Molecular weight495.32
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM50019220
SCHEMBL9865580
2-Iodo-N-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-benzamide: 0.3C4H8O2
2-Iodo-N-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-benzamide
Inchi KeyAXVHDVOFVUKUNK-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H18IN3O2/c1-27-19-14-8-6-12-17(19)20(15-9-3-2-4-10-15)25-21(23(27)29)26-22(28)16-11-5-7-13-18(16)24/h2-14,21H,1H3,(H,26,28)
PubChem CID14208314
ChEMBLCHEMBL306166
IUPHARN/A
BindingDB50019220
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
17111Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444

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