Details of the Drug

General Information of Drug (ID: DMCKBGM)

• Drug Name: Pyrimidinyl compound 5
• Synonyms: PMID26293650-Compound-40
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 427.5
  Logarithm of the Partition Coefficient (xlogp); 3.1
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C24H25N7O
  IUPAC Name: 5-[2-[(6-morpholin-4-ylpyridin-3-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile
  Canonical SMILES: C1CCN(C1)C2=C(C=C(C=C2)C3=NC(=NC=C3)NC4=CN=C(C=C4)N5CCOCC5)C#N
  InChI: InChI=1S/C24H25N7O/c25-16-19-15-18(3-5-22(19)30-9-1-2-10-30)21-7-8-26-24(29-21)28-20-4-6-23(27-17-20)31-11-13-32-14-12-31/h3-8,15,17H,1-2,9-14H2,(H,26,28,29)
  InChIKey: BEWCKABPPSBSRH-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 56593541
  TTD ID: D0YU2R

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.