Compound Detail
CHEMBL209014
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 | CHEMBL209014 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKNYJXCXLJBYQD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
4.53
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL2093866 | EC50 | 7.62 | 7.325 | 24.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | EC50 | = | 24.0 | nM | 7.62 | Agonist activity at estrogen receptor in Ishikawa cells | 16722623 |
| Estrogen receptor | EC50 | = | 94.0 | nM | 7.03 | Agonist activity at estrogen receptor in MCF7 cells | 16722623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16722623 | 10.1021/jm060353u | Estrogen receptor | 5 |
| 16722623 | 10.1021/jm060353u | Estrogen receptor beta | 1 |
Data from ChEMBL 36 via Core Engine