Compound Detail
CHEMBL58449
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 | CHEMBL58449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJASMGFZSABLPZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
430.6
MW (Da)
7.22
ALogP
3
HBA
1
HBD
36.4
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | Ki | 6.35 | 6.35 | 450.0 | 1 |
| Estrogen receptor beta CHEMBL242 | Ki | 5.85 | 5.85 | 1410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | Ki | = | 450.0 | nM | 6.35 | Ability to displace [3H]17-beta-estradiol from Estrogen receptor alpha by scinti... | 11459665 |
| Estrogen receptor beta | Ki | = | 1410.0 | nM | 5.85 | Ability to displace [3H]17-beta-estradiol from Estrogen receptor beta by scintil... | 11459665 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11459665 | 10.1016/s0960-894x(01)00321-3 | Estrogen receptor | 1 |
| 11459665 | 10.1016/s0960-894x(01)00321-3 | Estrogen receptor beta | 1 |
Data from ChEMBL 36 via Core Engine