Compound Detail
CHEMBL5777088
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
O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3cccc(Cl)c23)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL5777088 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALIZPFBIRRYJQJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
469.3
MW (Da)
6.41
ALogP
4
HBA
1
HBD
72.2
PSA (Ų)
0.37
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma CHEMBL1293231 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Nuclear receptor ROR-gamma CHEMBL1741186 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma | IC50 | = | 4.0 | nM | 8.4 | Biological Assays: The compounds of the invention inhibit RORgammaT activity. Ac... | - |
| Nuclear receptor ROR-gamma | IC50 | = | 4.0 | nM | 8.4 | Biochemical TR-FRET Assay: To identify novel antagonists of RORgammaT, an assay ... | - |
Data from ChEMBL 36 via Core Engine