Details of the Drug

General Information of Drug (ID: DMM4GLH)

• Drug Name: US8470836, 8
• Synonyms: SCHEMBL13099353; CHEMBL3644788; BDBM97581; US8470836, 8
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 503.4
  Logarithm of the Partition Coefficient (xlogp); 0
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 12
• Chemical Identifiers:
  Formula: C21H22F5N5O4
  IUPAC Name: (6S)-1-[(2S)-2-amino-4-[2-(furan-2-yl)-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-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=CO4)N)O)(F)F
  InChI: InChI=1S/C21H22F5N5O4/c22-20(23)5-3-15(32)31(19(20)34)9-11(27)8-16(33)30-6-4-12-13(10-30)28-18(14-2-1-7-35-14)29-17(12)21(24,25)26/h1-2,7,11,19,34H,3-6,8-10,27H2/t11-,19-/m0/s1
  InChIKey: QGMCXZMURXFXMP-WLRWDXFRSA-N
• Cross-matching ID:
  PubChem CID: 59550092
  TTD ID: D0MF7O

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.