Compound Detail
CHEMBL571293
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C=CCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(=C)C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C
Basic Information
| ChEMBL ID | CHEMBL571293 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLQKZAMYHJOBKG-SPODLQDHSA-N |
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
538.8
MW (Da)
8.61
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.27
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19911773 | 10.1021/jm900872z | G-protein coupled bile acid receptor 1 | 2 |
| 19911773 | 10.1021/jm900872z | Bile acid receptor | 1 |
Data from ChEMBL 36 via Core Engine