Compound Detail
CHEMBL398814
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Basic Information
| ChEMBL ID | CHEMBL398814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVRYNAMCPXJOBS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
4.74
ALogP
5
HBA
2
HBD
86.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steroid hormone receptor ERR1 CHEMBL3429 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Steroid hormone receptor ERR2 CHEMBL3751 | IC50 | 5.95 | 5.95 | 1130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Steroid hormone receptor ERR1 | IC50 | = | 150.0 | nM | 6.82 | Inhibition of human ERalpha | 17482813 |
| Steroid hormone receptor ERR2 | IC50 | = | 1130.0 | nM | 5.95 | Inhibition of human ERbeta | 17482813 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17482813 | 10.1016/j.bmcl.2007.04.068 | Steroid hormone receptor ERR1 | 1 |
| 17482813 | 10.1016/j.bmcl.2007.04.068 | Steroid hormone receptor ERR2 | 1 |
| 17482813 | 10.1016/j.bmcl.2007.04.068 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine