Details of the Drug

General Information of Drug (ID: DM157LQ)

• Drug Name: N-butyl-2-(1H-indol-3-yl)-2-oxoacetamide
• Synonyms: CHEMBL223476; N-butyl-2-(1H-indol-3-yl)-2-oxoacetamide; N-Butyl-2-(1H-indol-3-yl)-2-oxo-acetamide; BAS 04280181; AC1MK4QP; MolPort-000-249-106; ZINC3635496; BDBM50206948; N-butyl-2-indol-3-yl-2-oxoacetamide; AKOS000530602; MCULE-8866008030; ST50101897

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 244.29
  Logarithm of the Partition Coefficient (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C14H16N2O2
  IUPAC Name: N-butyl-2-(1H-indol-3-yl)-2-oxoacetamide
  Canonical SMILES: CCCCNC(=O)C(=O)C1=CNC2=CC=CC=C21
  InChI: InChI=1S/C14H16N2O2/c1-2-3-8-15-14(18)13(17)11-9-16-12-7-5-4-6-10(11)12/h4-7,9,16H,2-3,8H2,1H3,(H,15,18)
  InChIKey: XTLXOIBNXHXNBR-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3149449
  TTD ID: D0GE4A

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]

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.