Details of the Drug

General Information of Drug (ID: DMVYQXH)

• Drug Name: US8470836, 6
• Synonyms: SCHEMBL13099347; CHEMBL3644787; BDBM97579; US8470836, 6
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 514.4
  Logarithm of the Partition Coefficient (xlogp); -0.1
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 12
• Chemical Identifiers:
  Formula: C22H23F5N6O3
  IUPAC Name: (6S)-1-[(2S)-2-amino-4-oxo-4-[2-pyridin-4-yl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5,5-difluoro-6-hydroxypiperidin-2-one
  Canonical SMILES: C1CC([C@@H](N(C1=O)C[C@H](CC(=O)N2CCC3=C(C2)N=C(N=C3C(F)(F)F)C4=CC=NC=C4)N)O)(F)F
  InChI: InChI=1S/C22H23F5N6O3/c23-21(24)5-1-16(34)33(20(21)36)10-13(28)9-17(35)32-8-4-14-15(11-32)30-19(12-2-6-29-7-3-12)31-18(14)22(25,26)27/h2-3,6-7,13,20,36H,1,4-5,8-11,28H2/t13-,20-/m0/s1
  InChIKey: JLAXABGHGCBAGV-RBZFPXEDSA-N
• Cross-matching ID:
  PubChem CID: 44126288
  TTD ID: D0SH7G

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dipeptidyl-peptidase 7 (DPP7)	TTOYT5L	DPP2_HUMAN	Inhibitor	[1]

References

• [1] Dipeptidyl peptidase-IV inhibiting compounds, methods of preparing the same, and pharmaceutical compositions containing the same as active agent. US8470836.