Details of the Drug

General Information of Drug (ID: DMU21PD)

• Drug Name: US10023583, Example 13
• Synonyms: SCHEMBL19774049; BDBM284941; US10023583, Example 13
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 392.5
  Logarithm of the Partition Coefficient (xlogp); 0.5
  Rotatable Bond Count (rotbonds); 11
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C20H28N2O4S
  IUPAC Name: (2R,3R)-3-amino-2-[[2-(2-cyclopropylethyl)furo[3,2-c]pyridin-4-yl]methyl]-2-hydroxy-4-propylsulfanylbutanoic acid
  Canonical SMILES: CCCSC[C@@H]([C@](CC1=NC=CC2=C1C=C(O2)CCC3CC3)(C(=O)O)O)N
  InChI: InChI=1S/C20H28N2O4S/c1-2-9-27-12-18(21)20(25,19(23)24)11-16-15-10-14(6-5-13-3-4-13)26-17(15)7-8-22-16/h7-8,10,13,18,25H,2-6,9,11-12,21H2,1H3,(H,23,24)/t18-,20+/m0/s1
  InChIKey: ZJHMLTXEBYSRTJ-AZUAARDMSA-N
• Cross-matching ID:
  PubChem CID: 134172650
  TTD ID: D0V4YX

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.