Details of the Drug

General Information of Drug (ID: DM0CVTI)

• Drug Name: 6-Hydroxy-5,7-dimethyl-beta-carboline
• Synonyms: CHEMBL458558; 6-Hydroxy-5,7-dimethyl-beta-carboline

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 212.25
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C13H12N2O
  IUPAC Name: 5,7-dimethyl-9H-pyrido[3,4-b]indol-6-ol
  Canonical SMILES: CC1=CC2=C(C(=C1O)C)C3=C(N2)C=NC=C3
  InChI: InChI=1S/C13H12N2O/c1-7-5-10-12(8(2)13(7)16)9-3-4-14-6-11(9)15-10/h3-6,15-16H,1-2H3
  InChIKey: RRUTVQQPPTZUTL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44567438
  TTD ID: D0K5WC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A3 receptor (ADORA3)	TTJFY5U	AA3R_HUMAN	Inhibitor	[1]

References

• [1] Synthesis of eudistomin D analogues and its effects on adenosine receptors. Bioorg Med Chem. 2008 Apr 1;16(7):3825-30.