Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0I9XH
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| Former ID |
DPR000028
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| Drug Name |
Celastrol
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| Synonyms |
Tripterin; Tripterine; Celastrol, Celastrus scandens; (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid; (2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid; 3-Hydroxy-24-nor-2-oxo-1(10),3,5,7-friedelatetraen-29-oic Acid
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| Drug Type |
Small molecular drug
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| Indication | Motor neurone disease [ICD-11: 8B60; ICD-10: G12; ICD-9: 335.2] | Preclinical | [1] | |
| Company |
Schering-Plough
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| Structure |
 |
Download2D MOL |
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| Formula |
C29H38O4
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| Canonical SMILES |
CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C)O
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| InChI |
1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
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| InChIKey |
KQJSQWZMSAGSHN-JJWQIEBTSA-N
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| CAS Number |
CAS 34157-83-0
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| PubChem Compound ID | ||||
| PubChem Substance ID |
114102, 8138360, 10240199, 11335893, 11361132, 11363229, 11365791, 11368353, 11371505, 11375571, 11376515, 11442922, 11462104, 11483996, 11487966, 11490049, 11493780, 11494149, 14833303, 14881993, 26613093, 26680784, 26758439, 29303051, 47348965, 47499119, 48317970, 50058386, 50123609, 50495667, 53788029, 56312614, 56313783, 56314078, 57288538, 57288540, 57340168, 91010593, 92124892, 92310323, 92722515, 99437076, 103068159, 103079891, 103242969, 104416517, 117623341, 119501506, 124637741, 124757146
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| ChEBI ID |
CHEBI:63959
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| References | Top | |||
|---|---|---|---|---|
| REF 1 | Emerging disease-modifying therapies for the treatment of motor neuron disease/amyotropic lateral sclerosis. Expert Opin Emerg Drugs. 2007 May;12(2):229-52. | |||
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