ACETOSIDE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Oligosaccharide
Molecule Category: UNKNOWN
UNII: 3TGX09BD5B

Structure
InChI Key FBSKJMQYURKNSU-ZLSOWSIRSA-N
Smile C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
InChI
InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H36O15
Molecular Weight 624.59
AlogP -1.02
Hydrogen Bond Acceptor 15.0
Hydrogen Bond Donor 9.0
Number of Rotational Bond 10.0
Polar Surface Area 245.29
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 44.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 7800 - 700 -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC alpha subfamily
- 68-25000 - 22000-28000 9
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC delta subfamily
- 68-25000 - 22000-28000 9
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC eta subfamily
- 68-25000 - 22000-28000 9
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC iota subfamily
- 68-25000 - 22000-28000 9
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family
- 68-25000 - 22000-28000 9
Enzyme Oxidoreductase
- 11300 - - 0
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A1A subfamily
- 6.3 - - -
Enzyme Transferase
- 4540 - - 98.2
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -16.78-0.39
Epigenetic regulator Eraser Lysine demethylase Lysine-specific demethylase
- 3600 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Glomerulonephritis, IGA 2 D005922 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 132853
ChEMBL CHEMBL444478
DrugBank DB12996
FDA SRS 3TGX09BD5B
KEGG C10501
PubChem 5281800
SureChEMBL SCHEMBL657970
ZINC ZINC000008234351
CONTENTS