Details of the Drug

General Information of Drug (ID: DM7OGWH)

• Drug Name: PMID28766366-Compound-Scheme25-2
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 273.29
  Logarithm of the Partition Coefficient (xlogp); 3.3
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C17H11N3O
  IUPAC Name: 9-methoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile
  Canonical SMILES: COC1=CC2=C(C=C1)C3=C(C=C4C=NC=CC4=C3N2)C#N
  InChI: InChI=1S/C17H11N3O/c1-21-12-2-3-14-15(7-12)20-17-13-4-5-19-9-11(13)6-10(8-18)16(14)17/h2-7,9,20H,1H3
  InChIKey: UVJQEKJPAVSBTA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 77105816
  TTD ID: D09CDR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (DYRK1A)	TTSBVFO	DYR1A_HUMAN	Inhibitor	[1]
Dual-specificity tyrosine-phosphorylation regulated kinase 1B (DYRK1B)	TTYGQ8A	DYR1B_HUMAN	Inhibitor	[1]

References

• [1] Dual-specificity tyrosine phosphorylation-regulated kinase 1A (DYRK1A) inhibitors: a survey of recent patent literature.Expert Opin Ther Pat. 2017 Nov;27(11):1183-1199.