Compound Detail
CHEMBL5988497
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CC(=O)N1CC(C(=O)N2CC[C@@]3(S(=O)(=O)c4ccc(F)cc4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CC[C@@H]23)C1
Basic Information
| ChEMBL ID | CHEMBL5988497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCLHWQFHIDGCFL-ISKFKSNPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
624.5
MW (Da)
4.81
ALogP
4
HBA
0
HBD
74.8
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma CHEMBL1293231 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Nuclear receptor ROR-gamma CHEMBL1741186 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma | IC50 | = | 20.0 | nM | 7.7 | General RORgamma SPA binding assay : The binding of potential ligands to RORγ is... | - |
| Nuclear receptor ROR-gamma | IC50 | = | 20.0 | nM | 7.7 | Binding Assay : The binding of potential ligands to RORγ is measured by competit... | - |
Data from ChEMBL 36 via Core Engine