Compound Detail
CHEMBL4091901
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Basic Information
| ChEMBL ID | CHEMBL4091901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEADEAZMTYQUGS-DQSJHHFOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
431.6
MW (Da)
5.31
ALogP
4
HBA
2
HBD
52.9
PSA (Ų)
0.43
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steroid hormone receptor ERR2 CHEMBL3751 | IC50 | 5.65 | 5.65 | 2250.0 | 1 |
| Estrogen-related receptor gamma CHEMBL3585238 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Steroid hormone receptor ERR2 | IC50 | = | 2250.0 | nM | 5.65 | Inverse agonist activity at GAL4-DNA binding domain-fused human ERRbeta ligand b... | 28189393 |
| Estrogen-related receptor gamma | IC50 | = | 2500.0 | nM | 5.6 | Inverse agonist activity at GAL4-DNA binding domain-fused mouse ERRgamma ligand ... | 28189393 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28189393 | 10.1016/j.bmc.2017.01.019 | Steroid hormone receptor ERR1 | 1 |
| 28189393 | 10.1016/j.bmc.2017.01.019 | Steroid hormone receptor ERR2 | 1 |
| 28189393 | 10.1016/j.bmc.2017.01.019 | Estrogen-related receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine