Compound Detail
CHEMBL6061208
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O=C(O)c1cc(F)c(-c2nn(C(=O)c3c(Cl)cccc3C3CCC3)c3cccnc23)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL6061208 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCDKQBWCSBECKY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
467.9
MW (Da)
5.68
ALogP
5
HBA
1
HBD
85.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma CHEMBL1293231 | IC50 | 8.52 | 8.16 | 3.0 | 2 |
| Nuclear receptor ROR-gamma CHEMBL1741186 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma | IC50 | = | 3.0 | nM | 8.52 | Biological Assays: The compounds of the invention inhibit RORgammaT activity. Ac... | - |
| Nuclear receptor ROR-gamma | IC50 | = | 3.0 | nM | 8.52 | Biochemical TR-FRET Assay: To identify novel antagonists of RORgammaT, an assay ... | - |
| Nuclear receptor ROR-gamma | IC50 | = | 16.0 | nM | 7.8 | Biochemical TR-FRET Assay: To identify novel antagonists of RORgammaT, an assay ... | - |
Data from ChEMBL 36 via Core Engine