Compound Detail
CHEMBL3234247
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Basic Information
| ChEMBL ID | CHEMBL3234247 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AADSJPKBOIGAAW-CYYJNZCTSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
456.5
MW (Da)
6.04
ALogP
5
HBA
1
HBD
91.2
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma CHEMBL1741186 | IC50 | 6.7 | 6.2067 | 200.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma | IC50 | = | 200.0 | nM | 6.7 | Antagonist activity at Gal4-fused RORgamma (unknown origin) expressed in 293T ce... | 24704616 |
| Nuclear receptor ROR-gamma | IC50 | = | 200.0 | nM | 6.7 | Antagonist activity at full-length RORgamma (unknown origin) expressed in 293T c... | 24704616 |
| Nuclear receptor ROR-gamma | IC50 | = | 6050.0 | nM | 5.22 | Antagonist activity at human His6-tagged RORgamma ligand binding domain (262 to ... | 24704616 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24704616 | 10.1016/j.ejmech.2014.03.065 | Nuclear receptor ROR-gamma | 5 |
Data from ChEMBL 36 via Core Engine