Compound Detail
CHEMBL4206170
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Basic Information
| ChEMBL ID | CHEMBL4206170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWVMDJXRUCCCPJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
494.9
MW (Da)
5.68
ALogP
6
HBA
3
HBD
76.8
PSA (Ų)
0.38
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma CHEMBL1741186 | EC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma | EC50 | = | 170.0 | nM | 6.77 | Inverse agonist activity at Gal4-tagged human RORgammat ligand binding domain ex... | 29233651 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29233651 | 10.1016/j.bmcl.2017.12.006 | Nuclear receptor ROR-gamma | 1 |
Data from ChEMBL 36 via Core Engine