Details of the Drug

General Information of Drug (ID: DMFAME4)

• Drug Name: 2-(1H-Indol-3-yl)-2-oxo-N-phenethyl-acetamide
• Synonyms: 2-(1H-Indol-3-yl)-2-oxo-N-phenethyl-acetamide; USGVPHMVQJFJJD-UHFFFAOYSA-N; 2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide; 2-(1H-Indol-3-yl)-2-oxo-N-[2-phenylethyl]acetamide; AC1M2UTB; MLS001212145; CHEMBL68442; SCHEMBL4760802; MolPort-000-249-097; HMS3430C11; ZINC2815535; STK710826; AKOS000530675; MCULE-7691246998; 94209-12-8; BAS 04280191; SMR000518992; ST4091858; MLS-0351990.0002; 2-(1H-indol-3-yl)-2-oxo-N-phenethylacetamide; 2-indol-3-yl-2-oxo-N-(2-phenylethyl)acetamide; Acetamide, 2-(1H-indol-3-yl)-2-oxo-N-phenethyl-

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); 292.3
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C18H16N2O2
  IUPAC Name: 2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
  Canonical SMILES: C1=CC=C(C=C1)CCNC(=O)C(=O)C2=CNC3=CC=CC=C32
  InChI: InChI=1S/C18H16N2O2/c21-17(15-12-20-16-9-5-4-8-14(15)16)18(22)19-11-10-13-6-2-1-3-7-13/h1-9,12,20H,10-11H2,(H,19,22)
  InChIKey: USGVPHMVQJFJJD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2176767
  TTD ID: D0D6IU

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 gamma-2 (GABRG2)	TT06RH5	GBRG2_HUMAN	Inhibitor	[1]
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[1]

References

• [1] Benzodiazepine receptor affinity and interaction of some N-(indol-3-ylglyoxylyl)amine derivatives. J Med Chem. 1992 Jun 12;35(12):2214-20.