Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01481
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| Drug Name |
E-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 [ICD11:FA0Z] | Preclinical | [1] | |||
| Therapeutic Class |
Antiinflammatory Agents
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C21H28O2
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| Canonical SMILES |
CC=C1C(=O)CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
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| 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
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| InChIKey |
WDXRGPWQVHZTQJ-AUKWTSKRSA-N
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| CAS Number |
CAS 95975-55-6
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| Pharmaceutical Properties | Molecular Weight | 312.4 | Topological Polar Surface Area | 34.1 | ||
| Heavy Atom Count | 23 | Rotatable Bond Count | 0 | |||
| Hydrogen Bond Donor Count | 0 | Hydrogen Bond Acceptor Count | 2 | |||
| XLogP |
3.9
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| PubChem CID | ||||||
| PubChem SID |
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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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | |
| References | ||||||
| 1 | Guggulsterone, a farnesoid X receptor antagonist lowers plasma trimethylamine- N-oxide levels: An evidence from in vitro and in vivo studies. Hum Exp Toxicol. 2018 Dec 9:960327118817862. | |||||
| 2 | Effects of plant sterols on human multidrug transporters ABCB1 and ABCC1. Biochem Biophys Res Commun. 2008 May 2;369(2):363-8. | |||||
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