Compound Detail
CHEMBL5778434
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@H]1CC(C(=O)N2CCC3(S(=O)(=O)c4cccc(F)c4)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4CCC23)CC[C@H]1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5778434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSNITFSVOGKQJM-PEZFPZIYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
667.6
MW (Da)
6.47
ALogP
4
HBA
1
HBD
91.8
PSA (Ų)
0.37
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma CHEMBL1293231 | IC50 | 7.89 | 7.57 | 13.0 | 2 |
| Nuclear receptor ROR-gamma CHEMBL1741186 | IC50 | 7.89 | 7.57 | 13.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma | IC50 | = | 13.0 | nM | 7.89 | General RORgamma SPA binding assay : The binding of potential ligands to RORγ is... | - |
| Nuclear receptor ROR-gamma | IC50 | = | 13.0 | nM | 7.89 | Binding Assay : The binding of potential ligands to RORγ is measured by competit... | - |
| Nuclear receptor ROR-gamma | IC50 | = | 56.0 | nM | 7.25 | General RORgamma SPA binding assay : The binding of potential ligands to RORγ is... | - |
| Nuclear receptor ROR-gamma | IC50 | = | 56.0 | nM | 7.25 | Binding Assay : The binding of potential ligands to RORγ is measured by competit... | - |
Data from ChEMBL 36 via Core Engine