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Ligand

NameCHEMBL338391
Molecular formulaC25H24N4O3
IUPAC nameN-[2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]-4-nitrobenzamide
Molecular weight428.492
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM50131973
N-[2-(1-Methyl-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-2-yl)-ethyl]-4-nitro-benzamide
Inchi KeyAFTQTQYOCCPHGK-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H24N4O3/c1-28-21(15-16-26-25(30)19-11-13-20(14-12-19)29(31)32)17-27-24(18-7-3-2-4-8-18)22-9-5-6-10-23(22)28/h2-14,21H,15-17H2,1H3,(H,26,30)
PubChem CID10938869
ChEMBLCHEMBL338391
IUPHARN/A
BindingDB50131973
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
4485Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380

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