Compound Detail
CHEMBL5747900
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CC(C)(C(=O)N1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL5747900 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPEVFGJGEHYCQW-DENIHFKCSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
637.5
MW (Da)
6.92
ALogP
3
HBA
0
HBD
54.5
PSA (Ų)
0.27
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma CHEMBL1293231 | IC50 | 7.72 | 7.52 | 19.0 | 2 |
| Nuclear receptor ROR-gamma CHEMBL1741186 | IC50 | 7.72 | 7.56 | 19.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma | IC50 | = | 19.0 | nM | 7.72 | General RORgamma SPA binding assay : The binding of potential ligands to RORγ is... | - |
| Nuclear receptor ROR-gamma | IC50 | = | 19.0 | nM | 7.72 | Binding Assay : The binding of potential ligands to RORγ is measured by competit... | - |
| Nuclear receptor ROR-gamma | IC50 | = | 23.0 | nM | 7.64 | Binding Assay : The binding of potential ligands to RORγ is measured by competit... | - |
| Nuclear receptor ROR-gamma | IC50 | = | 48.0 | nM | 7.32 | General RORgamma SPA binding assay : The binding of potential ligands to RORγ is... | - |
| Nuclear receptor ROR-gamma | IC50 | = | 48.0 | nM | 7.32 | Binding Assay : The binding of potential ligands to RORγ is measured by competit... | - |
Data from ChEMBL 36 via Core Engine