Compound Detail
CHEMBL4779012
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Basic Information
| ChEMBL ID | CHEMBL4779012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWMIVNNGDPOPMN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
304.7
MW (Da)
4.06
ALogP
3
HBA
1
HBD
72.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma CHEMBL1741186 | IC50 | 6.97 | 6.97 | 108.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma | IC50 | = | 108.0 | nM | 6.97 | Orthosteric inverse agonist activity at recombinant human N-terminal His6-tagged... | 33854703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33854703 | 10.1021/acsmedchemlett.1c00029 | Nuclear receptor ROR-gamma | 3 |
Data from ChEMBL 36 via Core Engine