Compound Detail
CHEMBL2337506
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 | CHEMBL2337506 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZHRLYSIRDXSOJ-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
222.7
MW (Da)
1.78
ALogP
3
HBA
1
HBD
47.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
EC50 2 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 7.52 | 7.1767 | 30.0 | 3 |
| Androgen receptor CHEMBL1871 | EC50 | 6.19 | 5.76 | 640.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 30.0 | nM | 7.52 | Inhibition of Androgen receptor T877A mutant (unknown origin) expressed in Frees... | 23199477 |
| Androgen receptor | IC50 | = | 82.0 | nM | 7.09 | Antagonist activity at wild type Androgen receptor (unknown origin) expressed in... | 23199477 |
| Androgen receptor | IC50 | = | 120.0 | nM | 6.92 | Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyl... | 23199477 |
| Androgen receptor | EC50 | = | 640.0 | nM | 6.19 | Agonist activity at Androgen receptor T877A mutant in human LNCaP-hr cells asses... | 23199477 |
| Androgen receptor | EC50 | = | 4700.0 | nM | 5.33 | Agonist activity at wild type Androgen receptor in human LNCaP-hr cells assessed... | 23199477 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23199477 | 10.1016/j.bmc.2012.11.001 | Androgen receptor | 6 |
Data from ChEMBL 36 via Core Engine