Compound Detail
CHEMBL390577
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Basic Information
| ChEMBL ID | CHEMBL390577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOROQHBVBKVSID-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
360.3
MW (Da)
3.95
ALogP
3
HBA
1
HBD
45.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.65
Ki 1 meas. best 6.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | Ki | 6.69 | 6.69 | 206.0 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 6.65 | 6.65 | 224.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 206.0 | nM | 6.69 | Displacement of [3H]DHT from human AR expressed in MDA-MB-453 cells | 17439112 |
| Androgen receptor | IC50 | = | 224.0 | nM | 6.65 | Antagonist activity at human androgen receptor expressed in CV1 cells by transcr... | 17439112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17439112 | 10.1021/jm061329j | Androgen receptor | 5 |
Data from ChEMBL 36 via Core Engine