Details of the Drug

General Information of Drug (ID: DMGVT5Y)

• Drug Name: PMID28766366-Compound-Scheme25-3
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 303.3
  Logarithm of the Partition Coefficient (xlogp); 3.2
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C18H13N3O2
  IUPAC Name: 1,9-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile
  Canonical SMILES: COC1=CC2=C(C=C1)C3=C(C=C4C=NC=C(C4=C3N2)OC)C#N
  InChI: InChI=1S/C18H13N3O2/c1-22-12-3-4-13-14(6-12)21-18-16(13)10(7-19)5-11-8-20-9-15(23-2)17(11)18/h3-6,8-9,21H,1-2H3
  InChIKey: WAJNOEPHTZIWTO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 77105818
  TTD ID: D0CC7E

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.