Compound Detail
CHEMBL5748619
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Cc1cc(S(=O)(=O)C23CCN(C(=O)[C@]4(F)CC[C@@H](C(=O)O)CC4)C2CCc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc23)ccc1F
Basic Information
| ChEMBL ID | CHEMBL5748619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMUIKTMNWCIRAR-MTOUGUCQSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
685.6
MW (Da)
6.62
ALogP
4
HBA
1
HBD
91.8
PSA (Ų)
0.28
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma CHEMBL1293231 | IC50 | 7.68 | 7.48 | 21.0 | 2 |
| Nuclear receptor ROR-gamma CHEMBL1741186 | IC50 | 7.68 | 7.48 | 21.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma | IC50 | = | 21.0 | nM | 7.68 | General RORgamma SPA binding assay : The binding of potential ligands to RORγ is... | - |
| Nuclear receptor ROR-gamma | IC50 | = | 21.0 | nM | 7.68 | Binding Assay : The binding of potential ligands to RORγ is measured by competit... | - |
| Nuclear receptor ROR-gamma | IC50 | = | 52.0 | nM | 7.28 | General RORgamma SPA binding assay : The binding of potential ligands to RORγ is... | - |
| Nuclear receptor ROR-gamma | IC50 | = | 52.0 | nM | 7.28 | Binding Assay : The binding of potential ligands to RORγ is measured by competit... | - |
Data from ChEMBL 36 via Core Engine