Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D02YJL
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| Former ID |
DIB021021
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| Drug Name |
taurochenodeoxycholic acid
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| Synonyms |
taurochenodeoxycholate
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C26H45NO6S
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| Canonical SMILES |
CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
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| InChI |
1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1
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| InChIKey |
BHTRKEVKTKCXOH-BJLOMENOSA-N
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| CAS Number |
CAS 516-35-8
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| PubChem Compound ID | ||||
| PubChem Substance ID |
7825, 8143524, 11433252, 11566423, 15680651, 17422072, 17422074, 24702369, 50246905, 53789838, 57402301, 103457854, 103832585, 104602663, 119525713, 126523702, 134976110, 136073242, 137105399, 138870429, 160854685, 162224001, 178101457, 179293218, 196383650, 226439344, 241089240, 249868382, 252067842, 252500397, 252811091
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| ChEBI ID |
CHEBI:16525
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| 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: 4747). | |||
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