Compound Detail
CHEMBL217168
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Basic Information
| ChEMBL ID | CHEMBL217168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDXONFGBSUBGTN-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
256.2
MW (Da)
3.03
ALogP
3
HBA
1
HBD
36.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.47
Ki 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| Androgen receptor CHEMBL1871 | Ki | 6.82 | 6.82 | 153.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 34.0 | nM | 7.47 | Antagonist activity against human androgen receptor in CV1 cells measured as inh... | 17034117 |
| Androgen receptor | Ki | = | 153.0 | nM | 6.82 | Displacement of [3H]DHT from human androgen receptor expressed in MDA-MB-453 cel... | 17034117 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17034117 | 10.1021/jm060792t | Androgen receptor | 5 |
Data from ChEMBL 36 via Core Engine