Details of the Drug

General Information of Drug (ID: DMAEHCP)

• Drug Name: US8791257, 38
• Synonyms: CHEMBL3681195; BDBM127320; US8791257, 38
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 423.5
  Logarithm of the Partition Coefficient (xlogp); 1.4
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C21H25N7O3
  IUPAC Name: ethyl N-[4-[(4-amino-7-pyridin-4-ylpyrrolo[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)N
  InChI: InChI=1S/C21H25N7O3/c1-2-31-21(30)27-15-5-3-14(4-6-15)26-20(29)16-11-17(13-7-9-23-10-8-13)28-18(16)19(22)24-12-25-28/h7-12,14-15H,2-6H2,1H3,(H,26,29)(H,27,30)(H2,22,24,25)
  InChIKey: JJHBNGJYDQCBGI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 86766696
  TTD ID: D0E7ZS

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.