Details of the Drug

General Information of Drug (ID: DM9KSVI)

• Drug Name: US8940736, 7
• Synonyms: CHEMBL3699235; SCHEMBL15408805; BDBM142775; US8940736, 7
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 435.9
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C20H18ClN9O
  IUPAC Name: 2-[2-chloro-5-cyano-3-(3-hydroxypyrrolidin-1-yl)anilino]-4-(cyclopropylamino)imidazo[2,1-f][1,2,4]triazine-7-carbonitrile
  Canonical SMILES: C1CC1NC2=NC(=NN3C2=NC=C3C#N)NC4=C(C(=CC(=C4)C#N)N5CCC(C5)O)Cl
  InChI: InChI=1S/C20H18ClN9O/c21-17-15(5-11(7-22)6-16(17)29-4-3-14(31)10-29)26-20-27-18(25-12-1-2-12)19-24-9-13(8-23)30(19)28-20/h5-6,9,12,14,31H,1-4,10H2,(H2,25,26,27,28)
  InChIKey: XMYPWCUEOAYOMV-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 89919708
  TTD ID: D0XY1Z

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Casein kinase II alpha prime (CSNK2A2)	TTR93NU	CSK22_HUMAN	Inhibitor	[1]

References

• [1] Imidazotriazinecarbonitriles useful as kinase inhibitors. US8940736.