Compound Detail
CHEMBL453623
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL453623 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVICGEBBYBNKII-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
4.08
ALogP
2
HBA
0
HBD
23.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 7.46 | 7.17 | 35.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 35.0 | nM | 7.46 | Displacement of [3H]DHT from human cloned androgen receptor expressed in Sf9 cel... | 19201190 |
| Androgen receptor | IC50 | = | 133.0 | nM | 6.88 | Antagonist activity at human androgen receptor expressed in human MDA-MB453 cell... | 19201190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19201190 | 10.1016/j.bmcl.2009.01.063 | Syrian golden hamster | 2 |
| 19201190 | 10.1016/j.bmcl.2009.01.063 | Androgen receptor | 2 |
Data from ChEMBL 36 via Core Engine