Compound Detail
CHEMBL50995
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 | CHEMBL50995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJVFSITVRZYTHO-DQRAZIAOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
300.4
MW (Da)
5.76
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.61
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 7.0 | nM | 8.15 | Antiestrogenic activity in MCF-7-2a cells as concentration required to reduce es... | 12431063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3656352 | 10.1021/jm00393a014 | MCF7 | 3 |
| 12431063 | 10.1021/jm0209230 | Estrogen receptor | 3 |
| 3656352 | 10.1021/jm00393a014 | Estrogen receptor | 2 |
| 12431063 | 10.1021/jm0209230 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine