Details of the Drug

General Information of Drug (ID: DM536FO)

• Drug Name: US8703720, Reference Compound 2
• Synonyms: SCHEMBL17678835; CHEMBL3680809; BDBM120769; US8703720, Reference Compound 2
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 397.37
  Logarithm of the Partition Coefficient (xlogp); -4.2
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 7
  Hydrogen Bond Acceptor Count (hbondacc); 11
• Chemical Identifiers:
  Formula: C15H27NO11
  IUPAC Name: N-[(2R,4R,5S)-4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
  Canonical SMILES: CC(=O)NC1[C@H]([C@@H](C(O[C@H]1OC)CO)O[C@H]2C([C@H]([C@H](C(O2)CO)O)O)O)O
  InChI: InChI=1S/C15H27NO11/c1-5(19)16-8-10(21)13(7(4-18)26-14(8)24-2)27-15-12(23)11(22)9(20)6(3-17)25-15/h6-15,17-18,20-23H,3-4H2,1-2H3,(H,16,19)/t6?,7?,8?,9-,10+,11-,12?,13+,14+,15-/m0/s1
  InChIKey: PKPZITUQXLANSE-IFUIUTNGSA-N
• Cross-matching ID:
  PubChem CID: 84973162
  TTD ID: D0N5RH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Galectin-1 (LGALS1)	TTO3NYT	LEG1_HUMAN	Inhibitor	[1]

References

• [1] Galactoside inhibitors of galectins. US8703720.