Details of the Drug

General Information of Drug (ID: DM5LK6O)

• Drug Name: US10023583, Example 24
• Synonyms: SCHEMBL19774043; BDBM284952; US10023583, Example 24
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 406.5
  Logarithm of the Partition Coefficient (xlogp); 0.9
  Rotatable Bond Count (rotbonds); 11
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C21H30N2O4S
  IUPAC Name: (2R,3R)-3-amino-2-[[2-(2-cyclopropylethyl)furo[3,2-c]pyridin-4-yl]methyl]-2-hydroxy-4-(2-methylpropylsulfanyl)butanoic acid
  Canonical SMILES: CC(C)CSC[C@@H]([C@](CC1=NC=CC2=C1C=C(O2)CCC3CC3)(C(=O)O)O)N
  InChI: InChI=1S/C21H30N2O4S/c1-13(2)11-28-12-19(22)21(26,20(24)25)10-17-16-9-15(6-5-14-3-4-14)27-18(16)7-8-23-17/h7-9,13-14,19,26H,3-6,10-12,22H2,1-2H3,(H,24,25)/t19-,21+/m0/s1
  InChIKey: HMDRAHWGUKKPQA-PZJWPPBQSA-N
• Cross-matching ID:
  PubChem CID: 134172644
  TTD ID: D0IC5Y

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] Bicyclic pyridine compound. US10023583.