Compound Detail
CHEMBL4438589
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Basic Information
| ChEMBL ID | CHEMBL4438589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTABGVCSNBOTNS-JZYARHMISA-N |
| Parent Compound | CHEMBL4595968 |
| Active Moiety | CHEMBL4595968 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
428.6
MW (Da)
4.88
ALogP
4
HBA
2
HBD
46.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen-related receptor gamma CHEMBL4245 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Steroid hormone receptor ERR2 CHEMBL3751 | IC50 | 5.7 | 5.7 | 1980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen-related receptor gamma | IC50 | = | 60.0 | nM | 7.22 | Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-c... | 30657313 |
| Estrogen receptor | IC50 | = | 1700.0 | nM | 5.77 | Binding affinity to ERalpha (unknown origin) using fluorescein-conjugated coacti... | 30657313 |
| Steroid hormone receptor ERR2 | IC50 | = | 1980.0 | nM | 5.7 | Binding affinity to ERRbeta (unknown origin) using fluorescein-conjugated coacti... | 30657313 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30657313 | 10.1021/acs.jmedchem.8b01296 | Estrogen-related receptor gamma | 2 |
| 30657313 | 10.1021/acs.jmedchem.8b01296 | Steroid hormone receptor ERR1 | 1 |
| 30657313 | 10.1021/acs.jmedchem.8b01296 | Steroid hormone receptor ERR2 | 1 |
| 30657313 | 10.1021/acs.jmedchem.8b01296 | Estrogen receptor | 1 |
Data from ChEMBL 36 via Core Engine