Details of the Drug

General Information of Drug (ID: DMIQO8N)

• Drug Name: US8791257, 4
• Synonyms: SCHEMBL14634987; SCHEMBL12284249; CHEMBL3681193; DZUXIHIXWCKJDW-HAQNSBGRSA-N; BDBM127318; US8791257, 4; 4-Amino-N-(trans-4-hydroxycyclohexyl)-7-(2-fluoro-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 370.4
  Logarithm of the Partition Coefficient (xlogp); 1
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C18H19FN6O2
  IUPAC Name: 4-amino-7-(2-fluoropyridin-4-yl)-N-(4-hydroxycyclohexyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
  Canonical SMILES: C1CC(CCC1NC(=O)C2=C3C(=NC=NN3C(=C2)C4=CC(=NC=C4)F)N)O
  InChI: InChI=1S/C18H19FN6O2/c19-15-7-10(5-6-21-15)14-8-13(16-17(20)22-9-23-25(14)16)18(27)24-11-1-3-12(26)4-2-11/h5-9,11-12,26H,1-4H2,(H,24,27)(H2,20,22,23)
  InChIKey: DZUXIHIXWCKJDW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 68230695
  TTD ID: D0H6DS

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.