Details of the Drug

General Information of Drug (ID: DMBLEI7)

Drug Name

9H-beta-Carbolin-6-ylamine

Synonyms

9H-pyrido[3,4-b]indol-6-amine; 6-amino-beta-carboline; 6453-27-6; NSC248004; AC1L7VIB; CHEMBL164120; SCHEMBL10642567; PPCJCNSRVOYTKC-UHFFFAOYSA-N; AKOS022912596

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)

183.21

Logarithm of the Partition Coefficient (xlogp)

2.5

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C11H9N3
IUPAC Name: 9H-pyrido[3,4-b]indol-6-amine
Canonical SMILES: C1=CC2=C(C=C1N)C3=C(N2)C=NC=C3
InChI: InChI=1S/C11H9N3/c12-7-1-2-10-9(5-7)8-3-4-13-6-11(8)14-10/h1-6,14H,12H2
InChIKey: PPCJCNSRVOYTKC-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 317218
TTD ID: D0C8CR

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	Synthesis of 6-substituted beta-carbolines that behave as benzodiazepine receptor antagonists or inverse agonists. J Med Chem. 1987 Apr;30(4):750-3.