Compound Detail
CHEMBL4228755
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Basic Information
| ChEMBL ID | CHEMBL4228755 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKODKEUWHOHUIZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
390.9
MW (Da)
5.94
ALogP
4
HBA
1
HBD
56.0
PSA (Ų)
0.44
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor ROR-beta CHEMBL3091268 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor ROR-beta | IC50 | = | 1400.0 | nM | 5.85 | Displacement of [3H]-T0901317 from recombinant human His-SUMO-tagged RORbeta LBD... | 29534930 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29534930 | 10.1016/j.bmcl.2018.03.001 | Nuclear receptor ROR-beta | 1 |
| 29534930 | 10.1016/j.bmcl.2018.03.001 | Nuclear receptor ROR-gamma | 1 |
Data from ChEMBL 36 via Core Engine