Details of the Drug

General Information of Drug (ID: DMBD95S)

• Drug Name: US10059720, Example 80
• Synonyms: SCHEMBL17303615; BDBM271265; US10059720, Example 80
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 416.5
  Logarithm of the Partition Coefficient (xlogp); -1.3
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C21H28N4O5
  IUPAC Name: (2R,3S)-3-amino-2-hydroxy-2-[[4-(4-methylcyclohexyl)oxypyridin-2-yl]methyl]-4-pyrazin-2-yloxybutanoic acid
  Canonical SMILES: CC1CCC(CC1)OC2=CC(=NC=C2)C[C@@]([C@H](COC3=NC=CN=C3)N)(C(=O)O)O
  InChI: InChI=1S/C21H28N4O5/c1-14-2-4-16(5-3-14)30-17-6-7-24-15(10-17)11-21(28,20(26)27)18(22)13-29-19-12-23-8-9-25-19/h6-10,12,14,16,18,28H,2-5,11,13,22H2,1H3,(H,26,27)/t14?,16?,18-,21+/m0/s1
  InChIKey: GDORSLXMLRLKBT-MAQYLPRKSA-N
• Cross-matching ID:
  PubChem CID: 118549471
  TTD ID: D04AFR

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.