Details of the Drug

General Information of Drug (ID: DMB1WQZ)

• Drug Name: 7-azaindole derivative 7
• Synonyms: PMID25991433-Compound-I7
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 281.36
  Topological Polar Surface Area (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C16H19N5
  IUPAC Name: 2-cyclohexyl-7-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine
  Canonical SMILES: CN1C=C(C=N1)C2=CNC3=NC=C(N=C23)C4CCCCC4
  InChI: InChI=1S/C16H19N5/c1-21-10-12(7-19-21)13-8-17-16-15(13)20-14(9-18-16)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,17,18)
  InChIKey: KOKYJLMPOHNWTA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44622836
  TTD ID: D04BIF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Stress-activated protein kinase JNK3 (JNK3)	TT056SO	MK10_HUMAN	Inhibitor	[1]

References

• [1] c-Jun N-terminal kinase inhibitors: a patent review (2010 - 2014).Expert Opin Ther Pat. 2015;25(8):849-72.