Compound Detail
CHEMBL4597398
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 | CHEMBL4597398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEPBORHBTVHWRY-FLWNBWAVSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
519.5
MW (Da)
6.71
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.34
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen-related receptor gamma CHEMBL4245 | IC50 | 7.5 | 7.4067 | 32.0 | 3 |
| Steroid hormone receptor ERR2 CHEMBL3751 | IC50 | 6.0 | 6.0 | 990.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.0 | 5.775 | 990.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen-related receptor gamma | IC50 | = | 32.0 | nM | 7.5 | Binding Assay: ERRγ: The arylethene derivative of the present invention was sequ... | - |
| Estrogen-related receptor gamma | IC50 | = | 32.0 | nM | 7.5 | Binding Assay: In an ERR alpha binding assay, GST-bound ERR alpha LBD was used, ... | - |
| Estrogen-related receptor gamma | IC50 | = | 60.0 | nM | 7.22 | Binding Assay: ERRγ: The arylethene derivative of the present invention was sequ... | - |
| Unchecked | IC50 | = | 990.0 | nM | 6.0 | Binding Assay: ERRα/ERRβ/ERα : In an ERR beta binding assay, GST-bound ERR alpha... | - |
| Steroid hormone receptor ERR2 | IC50 | = | 990.0 | nM | 6.0 | Binding Assay: In an ERR alpha binding assay, GST-bound ERR alpha LBD was used, ... | - |
| Unchecked | IC50 | = | 2800.0 | nM | 5.55 | Binding Assay: ERRα/ERRβ/ERα : In an ERR beta binding assay, GST-bound ERR alpha... | - |
Data from ChEMBL 36 via Core Engine