Compound Detail
CHEMBL227030
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Basic Information
| ChEMBL ID | CHEMBL227030 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTEIFNFDVGVKDC-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
284.2
MW (Da)
2.38
ALogP
3
HBA
1
HBD
45.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.75
Ki 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | Ki | 7.82 | 7.82 | 15.0 | 1 |
| Androgen receptor CHEMBL1871 | EC50 | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 15.0 | nM | 7.82 | Displacement of [3H]DHT from human AR expressed in MDA-MB-453 cells | 17439112 |
| Androgen receptor | EC50 | = | 18.0 | nM | 7.75 | Agonist activity at human androgen receptor expressed in CV1 cells by transcript... | 17439112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17439112 | 10.1021/jm061329j | Androgen receptor | 5 |
Data from ChEMBL 36 via Core Engine