Compound Detail
CHEMBL2113248
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 | CHEMBL2113248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZKUBDLTVNYFCX-WDEREUQCSA-N |
1
Targets
3
Activities
3
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
5.15
ALogP
3
HBA
2
HBD
45.1
PSA (Ų)
0.80
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.25
IC50 1 meas. best 7.54
Ki 1 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| Androgen receptor CHEMBL1871 | EC50 | 7.25 | 7.25 | 56.0 | 1 |
| Androgen receptor CHEMBL1871 | Ki | 7.14 | 7.14 | 72.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 29.0 | nM | 7.54 | Antagonistic activity against human androgen receptor (hAR) in CV-1 cells using ... | 10340624 |
| Androgen receptor | EC50 | = | 56.0 | nM | 7.25 | Agonist activity to the human androgen receptor (hAR) in CV-1 cells | 10340624 |
| Androgen receptor | Ki | = | 72.0 | nM | 7.14 | Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radiolig... | 10340624 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10340624 | 10.1016/s0960-894x(99)00186-9 | Androgen receptor | 5 |
Data from ChEMBL 36 via Core Engine