StructureMoaOncology · CNS · cardio-metabolic · ADC catalog

Drug · ALS · ALS · Sourced compound

Taurursodiol structure · mechanism

PubChem CID 9848818. Molecular formula C26H45NO6S. Independently assigned structure; reviewed 2026-10-08. Family grouping is editorial and does not establish shared activity.

Molecular structure from independently sourced SMILES

Taurursodiol 2D structure

Role
Drug
Mechanism class
ALS
InChIKey
BHTRKEVKTKCXOH-LBSADWJPSA-N
Structure checked
2026-10-08
Molecular formula
C26H45NO6S
Structure source
PubChem
PubChem CID
9848818
InChI Key
BHTRKEVKTKCXOH-LBSADWJPSA-N

How similarity is calculated

SMILES

C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

Tags

ALSbile acid

External IDs · BioMoa

PubChem CID 9848818ChEMBLBioMoa · BioMoa에서 검색BioMoa · 프로그램 검색 · ALS / CNSBioMoa bridgeOpen on the family mapFlowStructure tableCNS Deep AnalysisMechanism class

StructureMoa is a chemical-structure exploration tool. Structural similarity, clustering, and SAR relationships are intended for research exploration and do not establish shared potency, selectivity, safety, efficacy, or clinical performance.

Methodology

Editorial responsibility and corrections

Operated and edited by the independent StructureMoa project. Explanations use AI assistance; structural identity and similarity are checked against source records and calculation tests. Molecular data and clinical or regulatory evidence have separate review scopes.

Source structures
PubChem · CID / SMILES / InChIKey
Calculations and automated checks
RDKit · Morgan / SMARTS
Disclosed specialist review
No separate external specialist review is disclosed. Passing automated tests is not specialist review of clinical claims.

For a correction, include the page URL, molecule name or CID, the field in question and a supporting source. Corrections are checked against sources, and the affected editorial update date is changed when a correction is published. [email protected]