Compound Detail
CHEMBL302528
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Basic Information
| ChEMBL ID | CHEMBL302528 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWWQKPDKRFBTFI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
5.89
ALogP
3
HBA
0
HBD
36.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | EC50 | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | EC50 | = | 25.0 | nM | 7.6 | Effective dose for [3H]- estradiol against proliferation of MCF-7 cells | 2769681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2769681 | 10.1021/jm00129a013 | MCF7 | 6 |
| 2769681 | 10.1021/jm00129a013 | Estrogen receptor | 3 |
| 2769681 | 10.1021/jm00129a013 | Anti-estrogen binding site (AEBS) | 2 |
| 2769681 | 10.1021/jm00129a013 | BT-20 | 2 |
| 1738150 | 10.1021/jm00081a021 | MCF7S | 2 |
| 1738150 | 10.1021/jm00081a021 | Protein kinase C, PKC; classical | 2 |
| 1738150 | 10.1021/jm00081a021 | Estrogen receptor | 1 |
| 1738150 | 10.1021/jm00081a021 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine