Details of the Drug

General Information of Drug (ID: DMUPRX2)

• Drug Name: US8791257, 17
• Synonyms: CHEMBL3681194; SCHEMBL12285791; BDBM127319; US8791257, 17
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 453.5
  Logarithm of the Partition Coefficient (xlogp); 1.7
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C22H27N7O4
  IUPAC Name: ethyl N-[4-[[4-amino-7-(2-methoxypyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carbonyl]amino]cyclohexyl]carbamate
  Canonical SMILES: CCOC(=O)NC1CCC(CC1)NC(=O)C2=C3C(=NC=NN3C(=C2)C4=CC(=NC=C4)OC)N
  InChI: InChI=1S/C22H27N7O4/c1-3-33-22(31)28-15-6-4-14(5-7-15)27-21(30)16-11-17(13-8-9-24-18(10-13)32-2)29-19(16)20(23)25-12-26-29/h8-12,14-15H,3-7H2,1-2H3,(H,27,30)(H,28,31)(H2,23,25,26)
  InChIKey: UOUCFNDSPAGXJQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 68231238
  TTD ID: D0NM6I

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] Substituted pyrrolotriazines as protein kinase inhibitors. US8791257.