Compound Detail
CHEMBL5287608
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Basic Information
| ChEMBL ID | CHEMBL5287608 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REQJRQPAKIVYOD-ASSNKEHSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
4.42
ALogP
4
HBA
0
HBD
51.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma CHEMBL1741186 | IC50 | 7.8 | 7.8 | 15.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma | IC50 | = | 15.8 | nM | 7.8 | Inhibition of human RORgamma by TR-FRET assay | 30010338 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30010338 | 10.1021/acs.jmedchem.8b00588 | Nuclear receptor ROR-gamma | 1 |
Data from ChEMBL 36 via Core Engine