Details of the Drug

General Information of Drug (ID: DMJ6GU9)

• Drug Name: US10059720, Example 82
• Synonyms: SCHEMBL17303611; BDBM271267; US10059720, Example 82
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 350.5
  Logarithm of the Partition Coefficient (xlogp); 0.3
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C19H30N2O4
  IUPAC Name: (2R,3S)-3-amino-2-[[4-[(2R)-1-cyclopropylpropan-2-yl]oxypyridin-2-yl]methyl]-2-hydroxy-5-methylhexanoic acid
  Canonical SMILES: C[C@H](CC1CC1)OC2=CC(=NC=C2)C[C@@]([C@H](CC(C)C)N)(C(=O)O)O
  InChI: InChI=1S/C19H30N2O4/c1-12(2)8-17(20)19(24,18(22)23)11-15-10-16(6-7-21-15)25-13(3)9-14-4-5-14/h6-7,10,12-14,17,24H,4-5,8-9,11,20H2,1-3H3,(H,22,23)/t13-,17+,19-/m1/s1
  InChIKey: YLKHAUHZCVMCJX-XVGQJIODSA-N
• Cross-matching ID:
  PubChem CID: 118549467
  TTD ID: D05ZEZ

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.