Details of the Drug

General Information of Drug (ID: DMFGIPR)

• Drug Name: US8703720, Reference Compound 1
• Synonyms: SCHEMBL10036902; CHEMBL3680808; BDBM120768; US8703720, Reference Compound 1
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 194.18
  Logarithm of the Partition Coefficient (xlogp); -2.2
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C7H14O6
  IUPAC Name: (3R,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
  Canonical SMILES: CO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O
  InChI: InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3?,4-,5-,6?,7+/m0/s1
  InChIKey: HOVAGTYPODGVJG-FSUQTPNVSA-N
• Cross-matching ID:
  PubChem CID: 58805972
  TTD ID: D0N0DD

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.