Details of the Drug

General Information of Drug (ID: DM0YD3Z)

• Drug Name: US8598172, 1
• Synonyms: SCHEMBL1527199; CHEMBL3660143; BDBM108214; US8598172, 1
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 533.6
  Logarithm of the Partition Coefficient (xlogp); 5
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 11
• Chemical Identifiers:
  Formula: C26H34F3N7O2
  IUPAC Name: (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]-7H-pteridin-6-one
  Canonical SMILES: CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=CC(=C4)N5CCN(CC5)C)OC(F)(F)F)C
  InChI: InChI=1S/C26H34F3N7O2/c1-4-20-24(37)34(3)21-16-30-25(32-23(21)36(20)17-7-5-6-8-17)31-19-15-18(35-13-11-33(2)12-14-35)9-10-22(19)38-26(27,28)29/h9-10,15-17,20H,4-8,11-14H2,1-3H3,(H,30,31,32)/t20-/m1/s1
  InChIKey: UKDYPCZCLRCOMP-HXUWFJFHSA-N
• Cross-matching ID:
  PubChem CID: 42611166
  TTD ID: D0IQ6R

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Polo-like kinase 2 (PLK2)	TT976FS	PLK2_HUMAN	Inhibitor	[1]

References

• [1] Substituted dihydropteridin-6-one derivatives, process for their preparation and their use as kinase inhibitors. US8598172.