Compound Detail
CHEMBL2113293
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]1CC[C@H]([C@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
Basic Information
| ChEMBL ID | CHEMBL2113293 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWLLYFXDDGGHOE-YVILZHTOSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
394.3
MW (Da)
3.83
ALogP
3
HBA
2
HBD
56.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.08
Ki 1 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | Ki | 8.12 | 8.12 | 7.6 | 1 |
| Androgen receptor CHEMBL1871 | EC50 | 8.08 | 8.08 | 8.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 7.6 | nM | 8.12 | Binding affinity to human AR | 17887661 |
| Androgen receptor | EC50 | = | 8.4 | nM | 8.08 | Agonist activity at human androgen receptor by luciferase reporter gene assay | 17887661 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17887661 | 10.1021/jm070231h | Androgen receptor | 5 |
Data from ChEMBL 36 via Core Engine