Details of the Drug

General Information of Drug (ID: DMH7Z4L)

Drug Name
N-butyl-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
Synonyms CHEMBL222316; N-butyl-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
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) 289.29
Logarithm of the Partition Coefficient (xlogp) 2.3
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C14H15N3O4
IUPAC Name
N-butyl-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
Canonical SMILES
CCCCNC(=O)C(=O)C1=CNC2=C1C=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H15N3O4/c1-2-3-6-15-14(19)13(18)11-8-16-12-5-4-9(17(20)21)7-10(11)12/h4-5,7-8,16H,2-3,6H2,1H3,(H,15,19)
InChIKey
FFNPFJOEAUFBBY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
16124919
TTD ID
D03OEN

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]
Gamma-aminobutyric acid receptor (GAR) TTNJYV2 NOUNIPROTAC 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.