Compound Detail
CHEMBL226268
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
Basic Information
| ChEMBL ID | CHEMBL226268 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLEXCTJQABXUGS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
461.6
MW (Da)
6.64
ALogP
6
HBA
2
HBD
62.2
PSA (Ų)
0.32
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 10.3 | 10.3 | 0.1 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 8.11 | 8.11 | 7.8 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 8.02 | 8.02 | 9.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 0.05 | nM | 10.3 | Antiproliferative activity against human MCF7 cells after 48 hrs y [3H]thymidine... | 31129450 |
| Estrogen receptor | IC50 | = | 7.8 | nM | 8.11 | Displacement of [3H]estradiol from human recombinant ERalpha | 17489582 |
| Estrogen receptor beta | IC50 | = | 9.6 | nM | 8.02 | Displacement of [3H]estradiol from human recombinant ERbeta | 17489582 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17489582 | 10.1021/jm070079j | Estrogen receptor | 2 |
| 17489582 | 10.1021/jm070079j | Estrogen receptor beta | 2 |
| 17489582 | 10.1021/jm070079j | Unchecked | 1 |
| 31129450 | 10.1016/j.ejmech.2019.05.023 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine