Compound Detail
CHEMBL3234285
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Basic Information
| ChEMBL ID | CHEMBL3234285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMLZLEXODDALNA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
431.5
MW (Da)
2.27
ALogP
5
HBA
2
HBD
126.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma CHEMBL1741186 | IC50 | 5.29 | 5.29 | 5150.0 | 1 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.16 | 5.16 | 6930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma | IC50 | = | 5150.0 | nM | 5.29 | Antagonist activity at full-length RORgamma (unknown origin) expressed in 293T c... | 24704616 |
| Bromodomain-containing protein 4 | IC50 | = | 6930.0 | nM | 5.16 | Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expres... | 26731490 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24704616 | 10.1016/j.ejmech.2014.03.065 | Nuclear receptor ROR-gamma | 3 |
| 26731490 | 10.1021/acs.jmedchem.5b01511 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine