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]
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]
Molecular Interaction Atlas (MIA) 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.