Details of the Drug

General Information of Drug (ID: DM316FB)

• Drug Name: US9434725, 315
• Synonyms: SCHEMBL15400195; CHEMBL3890953; BDBM249084; US9434725, 315
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 382.4
  Logarithm of the Partition Coefficient (xlogp); 1.1
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C21H18N8
  IUPAC Name: 6-(6-ethynylpyrazin-2-yl)-1-(6-piperazin-1-ylpyridin-2-yl)pyrazolo[4,3-c]pyridine
  Canonical SMILES: C#CC1=CN=CC(=N1)C2=NC=C3C=NN(C3=C2)C4=NC(=CC=C4)N5CCNCC5
  InChI: InChI=1S/C21H18N8/c1-2-16-13-23-14-18(26-16)17-10-19-15(11-24-17)12-25-29(19)21-5-3-4-20(27-21)28-8-6-22-7-9-28/h1,3-5,10-14,22H,6-9H2
  InChIKey: LBSWUVMKCABART-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 89914096
  TTD ID: D07SHE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
PIM-3 protein kinase (PIM3)	TTCGOIN	PIM3_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
PIM-3 protein kinase (PIM3)	DTT	PIM3	7.86E-06	0.78	3.44

References

• [1] 5-azaindazole compounds and methods of use. US9434725.