Details of the Drug

General Information of Drug (ID: DMXY4SP)

• Drug Name: US8940736, 6
• Synonyms: SCHEMBL15408873; CHEMBL3699234; BDBM142774; US8940736, 6
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 370.4
  Logarithm of the Partition Coefficient (xlogp); 2.2
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C18H14N10
  IUPAC Name: 2-[(3-cyano-1-methylindazol-5-yl)amino]-4-(cyclopropylamino)imidazo[2,1-f][1,2,4]triazine-7-carbonitrile
  Canonical SMILES: CN1C2=C(C=C(C=C2)NC3=NN4C(=CN=C4C(=N3)NC5CC5)C#N)C(=N1)C#N
  InChI: InChI=1S/C18H14N10/c1-27-15-5-4-11(6-13(15)14(8-20)25-27)23-18-24-16(22-10-2-3-10)17-21-9-12(7-19)28(17)26-18/h4-6,9-10H,2-3H2,1H3,(H2,22,23,24,26)
  InChIKey: JAQNOWSPKHFMOW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 89919749
  TTD ID: D01QPX

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.