Compound Detail
CHEMBL372390
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
C[C@@H]1CN(C(=O)Nc2ccc(C(F)(F)F)nc2)[C@@H](C)CN1c1ccc(C#N)c(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL372390 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKMJQRRLCJXPOK-OLZOCXBDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
471.4
MW (Da)
5.12
ALogP
4
HBA
1
HBD
72.3
PSA (Ų)
0.62
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of AR mediated transcriptional activation using reporter assay | 16420057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16420057 | 10.1021/jm050293c | Androgen receptor | 1 |
| 16420057 | 10.1021/jm050293c | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine