Details of the Drug

General Information of Drug (ID: DMG4W2C)

• Drug Name: 8-Hydroxy-5,7,9-trimethyl-delta-carboline
• Synonyms: CHEMBL458947; 8-Hydroxy-5,7,9-trimethyl-delta-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); 226.27
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C14H14N2O
  IUPAC Name: 5,7,9-trimethylpyrido[3,2-b]indol-8-ol
  Canonical SMILES: CC1=CC2=C(C(=C1O)C)C3=C(N2C)C=CC=N3
  InChI: InChI=1S/C14H14N2O/c1-8-7-11-12(9(2)14(8)17)13-10(16(11)3)5-4-6-15-13/h4-7,17H,1-3H3
  InChIKey: HGIQNBUVVTWBSJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44567454
  TTD ID: D02ZZQ

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.