Compound Detail
CHEMBL412079
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Basic Information
| ChEMBL ID | CHEMBL412079 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYYSEUPORZMMMG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
408.4
MW (Da)
3.28
ALogP
6
HBA
1
HBD
86.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steroidogenic factor 1 CHEMBL4666 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
| Nuclear receptor ROR-alpha CHEMBL5868 | IC50 | 4.44 | 4.44 | 36500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Steroidogenic factor 1 | IC50 | = | 340.0 | nM | 6.47 | Inhibition of GAL4-tagged NR5A1 by luciferase assay | 18374567 |
| Nuclear receptor ROR-alpha | IC50 | = | 36500.0 | nM | 4.44 | Inhibition of GAL4-tagged RORalpha by luciferase assay | 18374567 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18374567 | 10.1016/j.bmcl.2008.03.027 | Steroidogenic factor 1 | 1 |
| 18374567 | 10.1016/j.bmcl.2008.03.027 | Nuclear receptor ROR-alpha | 1 |
| 18374567 | 10.1016/j.bmcl.2008.03.027 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine