Details of the Drug

General Information of Drug (ID: DMKLVE4)

• Drug Name: US10059720, Example 84
• Synonyms: SCHEMBL17303614; BDBM271269; US10059720, Example 84
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 433.5
  Logarithm of the Partition Coefficient (xlogp); -0.2
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C22H28FN3O5
  IUPAC Name: (2R,3S)-3-amino-4-(5-fluoropyridin-2-yl)oxy-2-hydroxy-2-[[4-(4-methylcyclohexyl)oxypyridin-2-yl]methyl]butanoic acid
  Canonical SMILES: CC1CCC(CC1)OC2=CC(=NC=C2)C[C@@]([C@H](COC3=NC=C(C=C3)F)N)(C(=O)O)O
  InChI: InChI=1S/C22H28FN3O5/c1-14-2-5-17(6-3-14)31-18-8-9-25-16(10-18)11-22(29,21(27)28)19(24)13-30-20-7-4-15(23)12-26-20/h4,7-10,12,14,17,19,29H,2-3,5-6,11,13,24H2,1H3,(H,27,28)/t14?,17?,19-,22+/m0/s1
  InChIKey: AOFAGXGTSSPBTM-UCQMRJNNSA-N
• Cross-matching ID:
  PubChem CID: 118549470
  TTD ID: D06JLW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Leucyl-cysteinyl aminopeptidase (LNPEP)	TTY2KP7	LCAP_HUMAN	Inhibitor	[1]

References

• [1] Pyridine derivative. US10059720.