Compound Detail
CHEMBL227088
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Basic Information
| ChEMBL ID | CHEMBL227088 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPBFNRFRJLBCIQ-ZETCQYMHSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
366.3
MW (Da)
3.70
ALogP
3
HBA
1
HBD
45.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.96
Ki 2 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | Ki | 9.05 | 8.645 | 0.9 | 2 |
| Androgen receptor CHEMBL1871 | EC50 | 8.96 | 8.69 | 1.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 0.9 | nM | 9.05 | Binding affinity to human Androgen receptor | 35786895 |
| Androgen receptor | EC50 | = | 1.1 | nM | 8.96 | Agonist activity at human Androgen receptor | 35786895 |
| Androgen receptor | EC50 | = | 3.8 | nM | 8.42 | Agonist activity at human androgen receptor expressed in CV1 cells by transcript... | 17439112 |
| Androgen receptor | Ki | = | 5.7 | nM | 8.24 | Displacement of [3H]DHT from human AR expressed in MDA-MB-453 cells | 17439112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17439112 | 10.1021/jm061329j | Androgen receptor | 3 |
| 35786895 | 10.1021/acs.jmedchem.2c00716 | Androgen receptor | 3 |
Data from ChEMBL 36 via Core Engine