Details of the Drug

General Information of Drug (ID: DMV3H98)

• Drug Name: 7-azaindole derivative 5
• Synonyms: PMID25991433-Compound-I5
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 280.37
  Logarithm of the Partition Coefficient (xlogp); 3.8
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C17H20N4
  IUPAC Name: 5-cyclohexyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
  Canonical SMILES: CN1C=C(C=N1)C2=CNC3=C2C=C(C=N3)C4CCCCC4
  InChI: InChI=1S/C17H20N4/c1-21-11-14(9-20-21)16-10-19-17-15(16)7-13(8-18-17)12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,18,19)
  InChIKey: FZQRKZMGFGTWJG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 59238862
  TTD ID: D07KMK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Stress-activated protein kinase JNK1 (JNK1)	TT0K6EO	MK08_HUMAN	Inhibitor	[1]
Stress-activated protein kinase JNK2 (JNK2)	TTHS0U8	MK09_HUMAN	Inhibitor	[1]
Stress-activated protein kinase JNK3 (JNK3)	TT056SO	MK10_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Stress-activated protein kinase JNK1 (JNK1)	DTT	MAPK8	1.48E-07	1.2	2.27

References

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