Compound Detail
CHEMBL3289519
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Basic Information
| ChEMBL ID | CHEMBL3289519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZBRHWDCTRSWRM-SAJDGTNDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
4.48
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of 17beta-estradiol-induced in ERalpha positive human MCF7 cells prol... | 24908652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24908652 | 10.1016/j.ejmech.2014.05.067 | MCF7 | 2 |
| 24908652 | 10.1016/j.ejmech.2014.05.067 | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine