Drug Information

Drug General Information
Drug ID
D0G8BV
Former ID
DAP001389
Drug Name
Guggulsterone
Synonyms
Guggulsterone E; Guggulsterones E; Guggulsterones Z; Cis-Guggulsterone; E-Guggulsteron; E-Guggulsterone; Trans-Guggulsterone; Z-Guggulsterone; Pregna-4,17-diene-3,16-dione; (17E)-Pregna-4,17(20)-diene-3,16-dione; (17E)-pregna-4,17-diene-3,16-dione; (17Z)-Pregna-4,17(20)-diene-3,16-dione; (17Z)-pregna-4,17-diene-3,16-dione; (8R,9S,10R,13S,14S,17E)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione; (8R,9S,10R,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione; (Z)-Guggulsterone; 4,17(20)-cis-Pregnadiene-3,16-dione
Drug Type
Small molecular drug
Indication Osteoarthritis [ICD9: 715; ICD10:M15-M19, M47] Approved [536258], [539790]
Therapeutic Class
Antiinflammatory Agents
Structure
Download
2D MOL

3D MOL
Formula
C21H28O2
InChI
InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4-/t15-,17+,18+,20+,21-/m1/s1
InChIKey
WDXRGPWQVHZTQJ-AUKWTSKRSA-N
CAS Number
CAS 95975-55-6
PubChem Compound ID
6439929
PubChem Substance ID
11968418, 12014199, 14776672, 16785310, 17388984, 43032812, 47290858, 48425176, 53786929, 57368784, 75135369, 103557435, 104097121, 114560011, 121277970, 124891536, 126662501, 134338597, 134345283, 135102533, 135232087, 135652690, 137267509, 137267510, 144207512, 152035987, 162175698, 162247924, 177749507, 179323901, 180100214, 198955980, 198979541, 223686210, 227839216, 241068353, 249617470, 252156260
Target and Pathway
Target(s) Bile acid receptor Target Info Antagonist [536996]
KEGG Pathway Bile secretion
Pathway Interaction Database RXR and RAR heterodimerization with other nuclear receptor
Reactome Recycling of bile acids and salts
PPARA activates gene expression
Endogenous sterols
WikiPathways Nuclear Receptors in Lipid Metabolism and Toxicity
Nuclear Receptors Meta-Pathway
Farnesoid X Receptor Pathway
Drug Induction of Bile Acid Pathway
References
Ref 536258Treating insomnia: Current and investigational pharmacological approaches. Pharmacol Ther. 2006 Dec;112(3):612-29. Epub 2006 Jul 28.
Ref 539790(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2745).
Ref 536996Effect of guggulsterone and cembranoids of Commiphora mukul on pancreatic phospholipase A(2): role in hypocholesterolemia. J Nat Prod. 2009 Jan;72(1):24-8.

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