Compound Detail
CHEMBL423035
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(c1ccc(S(=O)(=O)CCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12
Basic Information
| ChEMBL ID | CHEMBL423035 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDNAZIWAXPIBLJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
521.7
MW (Da)
5.47
ALogP
7
HBA
2
HBD
94.9
PSA (Ų)
0.31
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL2093866 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 30.0 | nM | 7.52 | In vitro inhibition of estrogen-stimulated MCF-7 cell proliferation | 10098655 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10098655 | 10.1016/s0960-894x(99)00050-5 | Estrogen receptor | 2 |
| 22405286 | 10.1016/j.ejmech.2012.02.021 | Estrogen receptor | 1 |
| 22405286 | 10.1016/j.ejmech.2012.02.021 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine