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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL3680808
TTD ID
D0N0DD
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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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Galactoside inhibitors of galectins. US8703720.