Details of the Drug

General Information of Drug (ID: DMHXT12)

• Drug Name: PMID26293650-Compound-34
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 426.5
  Logarithm of the Partition Coefficient (xlogp); 4.1
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C25H26N6O
  IUPAC Name: 4-[[4-(3-cyano-4-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide
  Canonical SMILES: CC(C)NC(=O)C1=CC=C(C=C1)NC2=NC=CC(=N2)C3=CC(=C(C=C3)N4CCCC4)C#N
  InChI: InChI=1S/C25H26N6O/c1-17(2)28-24(32)18-5-8-21(9-6-18)29-25-27-12-11-22(30-25)19-7-10-23(20(15-19)16-26)31-13-3-4-14-31/h5-12,15,17H,3-4,13-14H2,1-2H3,(H,28,32)(H,27,29,30)
  InChIKey: FJNGYFUMQJIPOQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 72950600
  TTD ID: D00PFT

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.