Compound Detail
CHEMBL5797372
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COC(=O)C1CCN(C(=O)N2CC3CCc4cc(C(F)(C(F)(F)F)C(F)(F)F)ccc4C3(S(=O)(=O)c3ccc(F)cc3)C2)CC1C
Basic Information
| ChEMBL ID | CHEMBL5797372 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVWNIKIQLYBQGY-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
682.6
MW (Da)
5.91
ALogP
5
HBA
0
HBD
84.0
PSA (Ų)
0.23
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma CHEMBL1293231 | IC50 | 8.0 | 6.895 | 10.0 | 2 |
| Nuclear receptor ROR-gamma CHEMBL1741186 | IC50 | 8.0 | 6.895 | 10.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma | IC50 | = | 10.0 | nM | 8.0 | General RORgamma SPA binding assay : The binding of potential ligands to RORγ is... | - |
| Nuclear receptor ROR-gamma | IC50 | = | 10.0 | nM | 8.0 | Binding Assay : The binding of potential ligands to RORγ is measured by competit... | - |
| Nuclear receptor ROR-gamma | IC50 | = | 1613.0 | nM | 5.79 | General RORgamma SPA binding assay : The binding of potential ligands to RORγ is... | - |
| Nuclear receptor ROR-gamma | IC50 | = | 1613.0 | nM | 5.79 | Binding Assay : The binding of potential ligands to RORγ is measured by competit... | - |
Data from ChEMBL 36 via Core Engine