Details of the Drug

General Information of Drug (ID: DMH7JVA)

• Drug Name: US8470836, 2
• Synonyms: SCHEMBL3101345; CHEMBL3644783; BDBM97575; US8470836, 2
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 505.4
  Logarithm of the Partition Coefficient (xlogp); 0.2
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 14
• Chemical Identifiers:
  Formula: C18H19F8N5O3
  IUPAC Name: (6S)-1-[(2S)-2-amino-4-[2,4-bis(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)C(F)(F)F)N)O)(F)F
  InChI: InChI=1S/C18H19F8N5O3/c19-16(20)3-1-11(32)31(15(16)34)6-8(27)5-12(33)30-4-2-9-10(7-30)28-14(18(24,25)26)29-13(9)17(21,22)23/h8,15,34H,1-7,27H2/t8-,15-/m0/s1
  InChIKey: DMXWXVXGQLCKOY-AYVTZFPOSA-N
• Cross-matching ID:
  PubChem CID: 42635875
  CAS Number: 1173174-99-6
  TTD ID: D0S8CH

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.