Compound Detail
CHEMBL331820
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 | CHEMBL331820 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIDNKDVRTLFETI-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
3.06
ALogP
4
HBA
1
HBD
67.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL3072 | Ki | 8.65 | 8.65 | 2.2 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 2.23 | nM | 8.65 | Inhibitory constant against rat prostate cytosol androgen receptor using [3H]mib... | 10966753 |
| Androgen receptor | Ki | = | 2.239 | nM | 8.65 | Inhibition of [3H]mibolerone binding to cytosolic androgen receptor of rat ventr... | 15715462 |
| Androgen receptor | Ki | = | 2.23 | nM | 8.65 | Inhibition of rat prostate cytosolic androgen receptor | 15454212 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20218717 | 10.1021/jm901488g | LNCaP | 2 |
| 10966753 | 10.1021/jm000163y | Androgen receptor | 1 |
| 15715462 | 10.1021/jm0495879 | Androgen receptor | 1 |
| 15454212 | 10.1016/j.bmcl.2004.08.031 | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine