Compound Detail
CHEMBL145576
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 | CHEMBL145576 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXXGIDLDLCJJDB-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
5.08
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.65
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL3021 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Estrogen receptor CHEMBL2724 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 8.23 | 8.23 | 5.9 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 1.2 | nM | 8.92 | Binding affinity foor Rat Estrogen receptor-beta | 12565955 |
| Estrogen receptor | IC50 | = | 2.2 | nM | 8.66 | Binding affinity for Rat Estrogen receptor-alpha | 12565955 |
| Estrogen receptor beta | IC50 | = | 5.9 | nM | 8.23 | Binding affinity for Human Estrogen receptor-beta | 12565955 |
| Estrogen receptor | IC50 | = | 19.0 | nM | 7.72 | Binding affinity for Human Estrogen receptor-alpha | 12565955 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12565955 | 10.1016/s0960-894x(02)00985-x | Estrogen receptor | 2 |
| 12565955 | 10.1016/s0960-894x(02)00985-x | Estrogen receptor beta | 2 |
Data from ChEMBL 36 via Core Engine