Details of the Drug

General Information of Drug (ID: DMZR10T)

• Drug Name: US10023583, Example 5
• Synonyms: SCHEMBL19774051; US10023583, Example 5; BDBM284932
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 378.5
  Logarithm of the Partition Coefficient (xlogp); 2.2
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C19H26N2O4S
  IUPAC Name: methyl (2R,3R)-3-amino-2-[[2-(2-cyclopropylethyl)furo[3,2-c]pyridin-4-yl]methyl]-2-hydroxy-4-methylsulfanylbutanoate
  Canonical SMILES: COC(=O)[C@@](CC1=NC=CC2=C1C=C(O2)CCC3CC3)([C@H](CSC)N)O
  InChI: InChI=1S/C19H26N2O4S/c1-24-18(22)19(23,17(20)11-26-2)10-15-14-9-13(6-5-12-3-4-12)25-16(14)7-8-21-15/h7-9,12,17,23H,3-6,10-11,20H2,1-2H3/t17-,19+/m0/s1
  InChIKey: GTBZNNHYIZEBEO-PKOBYXMFSA-N
• Cross-matching ID:
  PubChem CID: 134172652
  TTD ID: D0HO8O

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.