Details of the Drug

General Information of Drug (ID: DMZF0DK)

• Drug Name: Aminopyrimidine derivative 6
• Synonyms: PMID26293650-Compound-43
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 456.5
  Logarithm of the Partition Coefficient (xlogp); 4.2
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C26H28N6O2
  IUPAC Name: N-[2-cyano-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-3-methylbutanamide
  Canonical SMILES: CC(C)CC(=O)NC1=C(C=C(C=C1)C2=NC(=NC=C2)NC3=CC=C(C=C3)N4CCOCC4)C#N
  InChI: InChI=1S/C26H28N6O2/c1-18(2)15-25(33)30-23-8-3-19(16-20(23)17-27)24-9-10-28-26(31-24)29-21-4-6-22(7-5-21)32-11-13-34-14-12-32/h3-10,16,18H,11-15H2,1-2H3,(H,30,33)(H,28,29,31)
  InChIKey: MIMBVFVOQLKELD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 51357830
  TTD ID: D0TK5U

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
NF-kappa-B-activating kinase (TBK1)	TTH5TC2	TBK1_HUMAN	Inhibitor	[1]

References

• [1] TBK1 inhibitors: a review of patent literature (2011 - 2014).Expert Opin Ther Pat. 2015;25(12):1385-96.