Details of the Drug

General Information of Drug (ID: DM4G3OC)

• Drug Name: US8669361, 102
• Synonyms: SCHEMBL2521818; CHEMBL3652620; NJUKVCLHVLPDAP-UHFFFAOYSA-N; BDBM119380; US8669361, 102; 5-amino-2-(2,6-difluorophenyl)-N-(1-methyl-1H-pyrazol-4-yl)thiazole-4-carboxamide
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 335.33
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C14H11F2N5OS
  IUPAC Name: 5-amino-2-(2,6-difluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
  Canonical SMILES: CN1C=C(C=N1)NC(=O)C2=C(SC(=N2)C3=C(C=CC=C3F)F)N
  InChI: InChI=1S/C14H11F2N5OS/c1-21-6-7(5-18-21)19-13(22)11-12(17)23-14(20-11)10-8(15)3-2-4-9(10)16/h2-6H,17H2,1H3,(H,19,22)
  InChIKey: NJUKVCLHVLPDAP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 58464924
  TTD ID: D0D0WQ

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] Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use. US9573943.