Compound Detail
CHEMBL58330
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Basic Information
| ChEMBL ID | CHEMBL58330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNSHOBXASKSVQK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
470.6
MW (Da)
7.68
ALogP
3
HBA
1
HBD
36.4
PSA (Ų)
0.25
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | Ki | 6.89 | 6.89 | 130.0 | 1 |
| Estrogen receptor beta CHEMBL242 | Ki | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | Ki | = | 130.0 | nM | 6.89 | Ability to displace [3H]17-beta-estradiol from Estrogen receptor alpha by scinti... | 11459665 |
| Estrogen receptor beta | Ki | = | 250.0 | nM | 6.6 | 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