Compound Detail
CHEMBL27413
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Basic Information
| ChEMBL ID | CHEMBL27413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHGKNGNEOJWOJZ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
3.89
ALogP
3
HBA
0
HBD
25.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.67
Ki 1 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 6.67 | 6.67 | 216.0 | 1 |
| Androgen receptor CHEMBL1871 | Ki | 6.58 | 6.58 | 263.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 216.0 | nM | 6.67 | Antagonistic activity against human androgen receptor (hAR) in CV-1 cells using ... | 10340624 |
| Androgen receptor | Ki | = | 263.0 | nM | 6.58 | Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radiolig... | 10340624 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10340624 | 10.1016/s0960-894x(99)00186-9 | Androgen receptor | 5 |
Data from ChEMBL 36 via Core Engine