Structure

InChI Key SHZGCJCMOBCMKK-DHVFOXMCSA-N
Smiles 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
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 Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- - - - 20
Unclassified protein
- 910 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Pseudomonas aeruginosa PA14
- 910 - - -

Related Entries

Cross References

Resources Reference
ChEBI 2181
ChEMBL CHEMBL469449
FDA SRS 28RYY2IV3F
Guide to Pharmacology 4721
KEGG C01019
SureChEMBL SCHEMBL63943