Details of the Drug

General Information of Drug (ID: DM3PU57)

• Drug Name: US8940736, 23
• Synonyms: CHEMBL3699236; SCHEMBL15425350; BDBM142776; US8940736, 23
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 460.9
  Logarithm of the Partition Coefficient (xlogp); 2.6
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C22H21ClN10
  IUPAC Name: 2-[2-chloro-5-cyano-3-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)anilino]-4-(cyclopropylamino)imidazo[2,1-f][1,2,4]triazine-7-carbonitrile
  Canonical SMILES: CN1CC2(C1)CN(C2)C3=CC(=CC(=C3Cl)NC4=NN5C(=CN=C5C(=N4)NC6CC6)C#N)C#N
  InChI: InChI=1S/C22H21ClN10/c1-31-9-22(10-31)11-32(12-22)17-5-13(6-24)4-16(18(17)23)28-21-29-19(27-14-2-3-14)20-26-8-15(7-25)33(20)30-21/h4-5,8,14H,2-3,9-12H2,1H3,(H2,27,28,29,30)
  InChIKey: UGYSMTLFOSQOTN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 72948498
  TTD ID: D0D2CR

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.