Structure

InChI Key SHZGCJCMOBCMKK-DHVFOXMCSA-N
Smile C[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@@H]1O
InChI
InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12O5
Molecular Weight 164.16
AlogP -2.19
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 0.0
Polar Surface Area 90.15
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 11.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - 300000-300000 -
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- - - - 20
Surface antigen
- 2950000 6700000 6700000 -
Unclassified protein
- 910-2740 2900 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 2181
ChEMBL CHEMBL469449
FDA SRS 28RYY2IV3F
Human Metabolome Database HMDB00174
Guide to Pharmacology 4721
KEGG C01019
PubChem 17106
SureChEMBL SCHEMBL63943