Compound Detail
CHEMBL3622588
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Basic Information
| ChEMBL ID | CHEMBL3622588 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSAWYXCOLKMTHF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
272.2
MW (Da)
2.79
ALogP
2
HBA
1
HBD
45.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 5.42 | 5.42 | 3760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 3760.0 | nM | 5.42 | Antagonist activity at wild type AR expressed in human SC cells assessed as inhi... | 26295173 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26295173 | 10.1016/j.ejmech.2015.08.002 | Androgen receptor | 2 |
Data from ChEMBL 36 via Core Engine