Compound Detail
CHEMBL369935
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Basic Information
| ChEMBL ID | CHEMBL369935 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOKFDHHICYICJW-DQSJHHFOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
447.6
MW (Da)
6.43
ALogP
4
HBA
1
HBD
32.7
PSA (Ų)
0.27
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Estrogen-related receptor gamma CHEMBL4245 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 10.0 | nM | 8.0 | Displacement of [3H]estradiol from ERalpha | 16307879 |
| Estrogen-related receptor gamma | IC50 | = | 1000.0 | nM | 6.0 | Displacement of [3H]4-OHT from ERRgamma | 16307879 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16307879 | 10.1016/j.bmcl.2005.11.030 | Estrogen-related receptor gamma | 1 |
| 16307879 | 10.1016/j.bmcl.2005.11.030 | Estrogen receptor | 1 |
| 16307879 | 10.1016/j.bmcl.2005.11.030 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine