Compound Detail
CHEMBL4513294
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4513294 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHJROKGEBXKHJA-YOYNBWDYSA-N |
| Parent Compound | CHEMBL4595376 |
| Active Moiety | CHEMBL4595376 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
414.6
MW (Da)
4.53
ALogP
4
HBA
3
HBD
55.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen-related receptor gamma CHEMBL4245 | IC50 | 6.98 | 6.98 | 104.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Steroid hormone receptor ERR2 CHEMBL3751 | IC50 | 5.34 | 5.34 | 4540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen-related receptor gamma | IC50 | = | 104.0 | nM | 6.98 | Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-c... | 30657313 |
| Estrogen receptor | IC50 | = | 2500.0 | nM | 5.6 | Binding affinity to ERalpha (unknown origin) using fluorescein-conjugated coacti... | 30657313 |
| Steroid hormone receptor ERR2 | IC50 | = | 4540.0 | nM | 5.34 | 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