Details of the Drug

General Information of Drug (ID: DM5VRXW)

• Drug Name: Aminopyrimidine derivative 9
• Synonyms: PMID26293650-Compound-46
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 443.5
  Logarithm of the Partition Coefficient (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C25H25N5O3
  IUPAC Name: N-[[4-[[4-[3-cyano-4-(oxan-4-yloxy)phenyl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide
  Canonical SMILES: CC(=O)NCC1=CC=C(C=C1)NC2=NC=CC(=N2)C3=CC(=C(C=C3)OC4CCOCC4)C#N
  InChI: InChI=1S/C25H25N5O3/c1-17(31)28-16-18-2-5-21(6-3-18)29-25-27-11-8-23(30-25)19-4-7-24(20(14-19)15-26)33-22-9-12-32-13-10-22/h2-8,11,14,22H,9-10,12-13,16H2,1H3,(H,28,31)(H,27,29,30)
  InChIKey: AZLRFMPKDVYEQH-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 67114761
  TTD ID: D0J4GP

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.