MetaADEDB 2.0 @ LMMD
Taurochenodeoxycholic Acid
(BHTRKEVKTKCXOH-BJLOMENOSA-N)
Structure
SMILES
O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCCS(=O)(=O)O)C)C)O)C
Type(s)
Experimental
Molecular Formula:
C26H45NO6S
Molecular Weight:
499.704
Log P:
4.8690
Hydrogen Bond Acceptor:
7
Hydrogen Bond Donor:
4
TPSA:
132.31
CAS Number(s):
516-35-8
Synonym(s)
1.
Taurochenodeoxycholic Acid
2.
Chenodeoxycholyltaurine
3.
Taurine Chenodeoxycholate
4.
Taurochenodeoxycholate
5.
Acid, Taurochenodeoxycholic
6.
Chenodeoxycholate, Taurine
External Link(s)
MeSHD013655
PubChem Compound387316
BindingDB50375595
ChEBI16525
CHEMBLCHEMBL185878
DrugBankDB08833
IUPHAR/BPS Guide to PHARMACOLOGY4747
KEGGcpd:C05465
Therapeutic Target DatabaseD02YJL
ZINC5822376
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Chemical and Drug Induced Liver Injury20797393CTD
2Cholestasis

View details

572556
1728037
8445238
8563000
9299676
20797393
 		CTD
Powered by :

Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120263

Copyright © 2019-2020 Laboratory of Molecular Modeling and Design, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology. All rights reserved.