Compound Detail
CHEMBL5421673
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Basic Information
| ChEMBL ID | CHEMBL5421673 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODZPKVAISZKCGI-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
5.56
ALogP
6
HBA
2
HBD
95.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.29
Kd 1 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen-related receptor gamma CHEMBL3585238 | IC50 | 5.29 | 5.29 | 5120.0 | 1 |
| Estrogen-related receptor gamma CHEMBL4245 | Kd | 5.19 | 5.19 | 6500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen-related receptor gamma | IC50 | = | 5120.0 | nM | 5.29 | Inverse agonist activity at Gal4-tagged mouse ERR-gamma LBD transfected in HEK29... | 36805944 |
| Estrogen-related receptor gamma | Kd | = | 6500.0 | nM | 5.19 | Binding affinity to ERR-gamma LBD (unknown origin) assessed as dissociation cons... | 36805944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36805944 | 10.1016/j.ejmech.2023.115174 | Estrogen-related receptor gamma | 10 |
| 36805944 | 10.1016/j.ejmech.2023.115174 | AML12 | 2 |
| 36805944 | 10.1016/j.ejmech.2023.115174 | Estrogen receptor | 1 |
| 36805944 | 10.1016/j.ejmech.2023.115174 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine