Details of the Drug

General Information of Drug (ID: DMBD52I)

Drug Name

N-(9H-beta-Carbolin-3-yl)-acetamide

Synonyms

91985-75-0; N-9h-pyrido[3,4-b]indol-3-yl-acetamide; 3-acetamino-beta-carboline; CHEMBL167732; SCHEMBL10645219; ZINC25307; JZIFOHJMLBAWQZ-UHFFFAOYSA-N; N-(beta-Carboline-3-yl)acetamide; N-(9H-pyrido[3,4-b]indol-3-yl)acetamide

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)

225.25

Logarithm of the Partition Coefficient (xlogp)

2.7

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C13H11N3O
IUPAC Name: N-(9H-pyrido[3,4-b]indol-3-yl)acetamide
Canonical SMILES: CC(=O)NC1=NC=C2C(=C1)C3=CC=CC=C3N2
InChI: InChI=1S/C13H11N3O/c1-8(17)15-13-6-10-9-4-2-3-5-11(9)16-12(10)7-14-13/h2-7,16H,1H3,(H,14,15,17)
InChIKey: JZIFOHJMLBAWQZ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 13315120
TTD ID: D05AEG

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]
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	3-Amino-beta-carboline derivatives and the benzodiazepine receptor. Synthesis of a selective antagonist of the sedative action of diazepam. J Med Chem. 1985 Jun;28(6):824-8.