Compound Detail
CHEMBL449371
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Basic Information
| ChEMBL ID | CHEMBL449371 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTWXAKNDRBJUFB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
4.22
ALogP
2
HBA
0
HBD
23.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 6.78 | 6.745 | 167.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 167.0 | nM | 6.78 | Antagonist activity at human androgen receptor expressed in human MDA-MB453 cell... | 19201190 |
| Androgen receptor | IC50 | = | 194.0 | nM | 6.71 | Displacement of [3H]DHT from human cloned androgen receptor expressed in Sf9 cel... | 19201190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19201190 | 10.1016/j.bmcl.2009.01.063 | Androgen receptor | 2 |
Data from ChEMBL 36 via Core Engine