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Ligand

NameCHEMBL342415
Molecular formulaC27H25FN4O
IUPAC nameN-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]-2-(1H-indol-3-yl)acetamide
Molecular weight440.522
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.4
SynonymsBDBM50013199
N-[5-(2-Fluoro-phenyl)-1-methyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-2-ylmethyl]-2-(1H-indol-3-yl)-acetamide
N-[[5-(2-Fluorophenyl)-2,3-dihydro-1-methyl-1H-1,4-benzodiazepin]-2-ylmethyl]-1H-indole-3-acetamide
SCHEMBL9528595
Inchi KeyBAYFEFXAUQUWCZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H25FN4O/c1-32-19(16-30-26(33)14-18-15-29-24-12-6-3-8-20(18)24)17-31-27(21-9-2-5-11-23(21)28)22-10-4-7-13-25(22)32/h2-13,15,19,29H,14,16-17H2,1H3,(H,30,33)
PubChem CID20152922
ChEMBLCHEMBL342415
IUPHARN/A
BindingDB50013199
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
19303Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444

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