Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0G8BV
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| Former ID |
DAP001389
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| Drug Name |
Guggulsterone
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| Synonyms |
Guggulsterone E; (E)-Guggulsterone; E-Guggulsterone; Guggulsterones E; trans-Guggulsterone; 39025-24-6; Pregna-4,17-diene-3,16-dione; UNII-9B259YE66O; (17E)-Pregna-4,17(20)-diene-3,16-dione; Z-Guggulsterone; CHEMBL402063; 95975-55-6; 9B259YE66O; (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; E-Guggulsteron; Pregna-4,17(20)-diene-3,16-dione; Guggulsterone, (E)-; Guglip; Z/E-Guggulsterone; Pregna-4,17(20)-diene-3,16-dione, (17E)-; Guggulsterone E; Guggulsterones Z; Cis-Guggulsterone; Trans-Guggulsterone; (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,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; E-GUGGULSTERONE
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| Drug Type |
Small molecular drug
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| Indication | Osteoarthritis [ICD-11: FA00-FA05; ICD-9: 715] | Approved | [1], [2] | |
| Therapeutic Class |
Antiinflammatory Agents
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| Structure |
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Download2D MOL |
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| Formula |
C21H28O2
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| Canonical SMILES |
CC=C1C(=O)CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
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| 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
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| InChIKey |
WDXRGPWQVHZTQJ-OSJVMJFVSA-N
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| CAS Number |
CAS 39025-23-5
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| PubChem Compound ID | ||||
| 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
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| ChEBI ID |
CHEBI:135338
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Farnesoid X-activated receptor (FXR) | Target Info | Antagonist | [3], [4] |
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | URL: 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 2 | Treating insomnia: Current and investigational pharmacological approaches. Pharmacol Ther. 2006 Dec;112(3):612-29. | |||
| REF 3 | Effect of guggulsterone and cembranoids of Commiphora mukul on pancreatic phospholipase A(2): role in hypocholesterolemia. J Nat Prod. 2009 Jan;72(1):24-8. | |||
| REF 4 | Scalarane sesterterpenes from a marine sponge of the genus Spongia and their FXR antagonistic activity. J Nat Prod. 2007 Nov;70(11):1691-5. | |||
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