Compound Detail
CHEMBL4228577
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Basic Information
| ChEMBL ID | CHEMBL4228577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYLAGSWTOWKFND-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
400.8
MW (Da)
5.43
ALogP
4
HBA
1
HBD
56.0
PSA (Ų)
0.47
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor ROR-beta CHEMBL3091268 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.045 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor ROR-beta | IC50 | = | 410.0 | nM | 6.39 | 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 |
| 29534930 | 10.1016/j.bmcl.2018.03.001 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine