Details of the Drug

General Information of Drug (ID: DM3KNSY)

Drug Name

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

Synonyms

95935-50-5; Formamide, N-9H-pyrido[3,4-b]indol-3-yl-; CHEMBL353110

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)

211.22

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: C12H9N3O
IUPAC Name: N-(9H-pyrido[3,4-b]indol-3-yl)formamide
Canonical SMILES: C1=CC=C2C(=C1)C3=CC(=NC=C3N2)NC=O
InChI: InChI=1S/C12H9N3O/c16-7-14-12-5-9-8-3-1-2-4-10(8)15-11(9)6-13-12/h1-7,15H,(H,13,14,16)
InChIKey: YLIKNFBWEFRNOD-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]
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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.