Compound Detail
CHEMBL6004596
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COC1CN(C(=O)c2ccc3c(-c4ccc(C(=O)O)cc4F)cn(C(=O)c4c(Cl)cccc4C(F)(F)F)c3c2)C1
Basic Information
| ChEMBL ID | CHEMBL6004596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWGWQRAYHKIEDH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
574.9
MW (Da)
5.98
ALogP
5
HBA
1
HBD
88.8
PSA (Ų)
0.30
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma CHEMBL1293231 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Nuclear receptor ROR-gamma CHEMBL1741186 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma | IC50 | = | 1.0 | nM | 9.0 | Biological Assays: The compounds of the invention inhibit RORgammaT activity. Ac... | - |
| Nuclear receptor ROR-gamma | IC50 | = | 1.0 | nM | 9.0 | Biochemical TR-FRET Assay: To identify novel antagonists of RORgammaT, an assay ... | - |
Data from ChEMBL 36 via Core Engine