Compound Detail
CHEMBL182593
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Basic Information
| ChEMBL ID | CHEMBL182593 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEOHVBVLJVUNLS-GHXBURCUSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
308.2
MW (Da)
3.30
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.39
Ki 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | Ki | 8.22 | 7.51 | 6.0 | 2 |
| Androgen receptor CHEMBL1871 | IC50 | 7.39 | 6.8833 | 41.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 6.0 | nM | 8.22 | Binding affinity for mutant T877A Androgen receptor in human LNCaP cells | 15603938 |
| Androgen receptor | IC50 | = | 41.0 | nM | 7.39 | Inhibition of mutant T877A Androgen receptor in human LNCaP cells | 15603938 |
| Androgen receptor | Ki | = | 158.0 | nM | 6.8 | Binding affinity for androgen receptor in human MDA-453 cells | 15603938 |
| Androgen receptor | IC50 | = | 180.0 | nM | 6.75 | Inhibition of androgen dependent human prostate cancer cell MDA-MB-PCa2b prolife... | 15603938 |
| Androgen receptor | IC50 | = | 307.0 | nM | 6.51 | Inhibition of androgen receptor in human MDA-453 cells | 15603938 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15603938 | 10.1016/j.bmcl.2004.10.085 | Androgen receptor | 5 |
Data from ChEMBL 36 via Core Engine