Compound Detail
CHEMBL366186
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CSc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL366186 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDJHVFPETOLMBE-SSTWWWIQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
397.6
MW (Da)
3.21
ALogP
5
HBA
2
HBD
89.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 430.0 | nM | 6.37 | Anti-proliferative activity against MCF-7 human breast cancer cells was determin... | 15149660 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15149660 | 10.1016/j.bmcl.2004.04.027 | MCF7 | 1 |
| 16078843 | 10.1021/jm050066a | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine