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Ligand

NameCHEMBL336690
Molecular formulaC22H26FN3O2
IUPAC name2-methylpropyl N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]carbamate
Molecular weight383.467
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.4
SynonymsSCHEMBL9501135
ACRQLKKCZLFLPH-UHFFFAOYSA-N
BDBM50013179
[5-(2-Fluoro-phenyl)-1-methyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-2-ylmethyl]-carbamic acid isobutyl ester
1-methyl-2-[(2-methylpropoxy)carbonyl]aminomethyl-5-(2'-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine
[ Show all ]
Inchi KeyACRQLKKCZLFLPH-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H26FN3O2/c1-15(2)14-28-22(27)25-13-16-12-24-21(17-8-4-6-10-19(17)23)18-9-5-7-11-20(18)26(16)3/h4-11,15-16H,12-14H2,1-3H3,(H,25,27)
PubChem CID19766222
ChEMBLCHEMBL336690
IUPHARN/A
BindingDB50013179
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
1847Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
1848Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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