Compound Detail
CHEMBL3234256
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Basic Information
| ChEMBL ID | CHEMBL3234256 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQYQJCSODDOMTE-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
3.58
ALogP
4
HBA
2
HBD
95.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma CHEMBL1741186 | IC50 | 7.05 | 5.8667 | 90.0 | 3 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma | IC50 | = | 90.0 | nM | 7.05 | Antagonist activity at full-length RORgamma (unknown origin) expressed in 293T c... | 24704616 |
| Nuclear receptor ROR-gamma | IC50 | = | 320.0 | nM | 6.5 | Antagonist activity at Gal4-fused RORgamma (unknown origin) expressed in 293T ce... | 24704616 |
| Bromodomain-containing protein 4 | IC50 | = | 4700.0 | nM | 5.33 | Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expres... | 26731490 |
| Nuclear receptor ROR-gamma | IC50 | = | 89760.0 | nM | 4.05 | 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 |
| 26731490 | 10.1021/acs.jmedchem.5b01511 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine