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]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.