Details of the Drug

General Information of Drug (ID: DMULBO9)

Drug Name

N-(p-methylbenzyl)-5-nitroindol-3-ylglyoxylamide

Synonyms

CHEMBL223707; N-(p-methylbenzyl)-5-nitroindol-3-ylglyoxylamide

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)

337.3

Logarithm of the Partition Coefficient (xlogp)

2.9

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C18H15N3O4
IUPAC Name: N-[(4-methylphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
Canonical SMILES: CC1=CC=C(C=C1)CNC(=O)C(=O)C2=CNC3=C2C=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C18H15N3O4/c1-11-2-4-12(5-3-11)9-20-18(23)17(22)15-10-19-16-7-6-13(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)
InChIKey: CXKKDMBQHWZSKG-UHFFFAOYSA-N

Cross-matching ID

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)

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.