HYALURONIC ACID

Search structure
Synonyms:
Status: Phase 3
Entry Type: Oligosaccharide
Molecule Category: UNKNOWN
ATC: D03AX05
UNII: S270N0TRQY

Structure
InChI Key KIUKXJAPPMFGSW-DNGZLQJQSA-N
Smile CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](C(=O)O)O[C@@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]3NC(C)=O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChI
InChI=1S/C28H44N2O23/c1-5(33)29-9-18(11(35)7(3-31)47-25(9)46)49-28-17(41)15(39)20(22(53-28)24(44)45)51-26-10(30-6(2)34)19(12(36)8(4-32)48-26)50-27-16(40)13(37)14(38)21(52-27)23(42)43/h7-22,25-28,31-32,35-41,46H,3-4H2,1-2H3,(H,29,33)(H,30,34)(H,42,43)(H,44,45)/t7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19-,20+,21+,22+,25-,26+,27-,28-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H44N2O23
Molecular Weight 776.65
AlogP -9.28
Hydrogen Bond Acceptor 21.0
Hydrogen Bond Donor 14.0
Number of Rotational Bond 12.0
Polar Surface Area 399.71
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 53.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 17.34
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -15.41--9.36

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteoarthritis, Knee 3 D020370 ClinicalTrials
Oral Submucous Fibrosis 3 D009914 ClinicalTrials
Urinary Bladder Neoplasms 3 D001749 ClinicalTrials
Osteoarthritis 3 D010003 ClinicalTrials
Premature Ejaculation 3 D061686 ClinicalTrials
Skin Abnormalities 3 D012868 ClinicalTrials
Tendinopathy 3 D052256 ClinicalTrials
Wounds and Injuries 2 D014947 ClinicalTrials
Sprains and Strains 2 D013180 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Periodontitis 2 D010518 ClinicalTrials
Melanosis 2 D008548 ClinicalTrials
Presbyopia 1 D011305 ClinicalTrials
Rotator Cuff Injuries 1 D000070636 ClinicalTrials
Tendon Entrapment 1 D053682 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 151449
ChEMBL CHEMBL1697748
FDA SRS S270N0TRQY
PubChem 3084050
SureChEMBL SCHEMBL24484198
ZINC ZINC000096014306
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