Details of the Drug

General Information of Drug (ID: DMYR10P)

• Drug Name: US8470836, 5
• Synonyms: SCHEMBL3111337; CHEMBL3644786; BDBM97578; US8470836, 5
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 491.5
  Logarithm of the Partition Coefficient (xlogp); 0.4
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 11
• Chemical Identifiers:
  Formula: C21H26F5N5O3
  IUPAC Name: 1-[(2S)-2-amino-4-[2-cyclobutyl-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(C1)C2=NC3=C(CCN(C3)C(=O)C[C@@H](CN4C(C(CCC4=O)(F)F)O)N)C(=N2)C(F)(F)F
  InChI: InChI=1S/C21H26F5N5O3/c22-20(23)6-4-15(32)31(19(20)34)9-12(27)8-16(33)30-7-5-13-14(10-30)28-18(11-2-1-3-11)29-17(13)21(24,25)26/h11-12,19,34H,1-10,27H2/t12-,19?/m0/s1
  InChIKey: OPWLXRFLOSHBNJ-HSLMYDHPSA-N
• Cross-matching ID:
  PubChem CID: 44126186
  TTD ID: D0M6CN

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.