Compound Detail
CHEMBL4292343
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
Basic Information
| ChEMBL ID | CHEMBL4292343 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DATNOEKWAMTIHN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
435.8
MW (Da)
6.85
ALogP
3
HBA
0
HBD
26.3
PSA (Ų)
0.41
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor ROR-beta CHEMBL3091268 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Nuclear receptor ROR-gamma CHEMBL1741186 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor ROR-beta | IC50 | = | 15.0 | nM | 7.82 | Displacement of [3H]-T0901317 from recombinant human His-SUMO-tagged RORbeta LBD... | 30143422 |
| Nuclear receptor ROR-gamma | IC50 | = | 460.0 | nM | 6.34 | Displacement of [3H]-T0901317 from recombinant human His-SUMO-tagged RORgamma LB... | 30143422 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30143422 | 10.1016/j.bmcl.2018.08.017 | Nuclear receptor ROR-beta | 1 |
| 30143422 | 10.1016/j.bmcl.2018.08.017 | Nuclear receptor ROR-gamma | 1 |
Data from ChEMBL 36 via Core Engine