Details of the Drug

General Information of Drug (ID: DMMT65J)

Drug Name
N-benzyl-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
Synonyms CHEMBL75307; N-benzyl-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide; N-benzyl-2-(5-nitro-1H-indol-3-yl)-2-oxo-acetamide
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 323.3
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C17H13N3O4
IUPAC Name
N-benzyl-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
Canonical SMILES
C1=CC=C(C=C1)CNC(=O)C(=O)C2=CNC3=C2C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H13N3O4/c21-16(17(22)19-9-11-4-2-1-3-5-11)14-10-18-15-7-6-12(20(23)24)8-13(14)15/h1-8,10,18H,9H2,(H,19,22)
InChIKey
JYXHNHBKWZQGLB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10426330
ChEBI ID
CHEMBL75307
TTD ID
D05WEF
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
GABA(A) receptor alpha-1 (GABRA1) TT1MPAY GBRA1_HUMAN Inhibitor [1]
GABA(A) receptor beta-2 (GABRB2) TTZA1NY GBRB2_HUMAN Inhibitor [1]
GABA(A) receptor gamma-2 (GABRG2) TT06RH5 GBRG2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Novel N-substituted indol-3-ylglyoxylamides probing the LDi and L1/L2 lipophilic regions of the benzodiazepine receptor site in search for subtype-... J Med Chem. 2007 Apr 5;50(7):1627-34.