Compound Detail
CHEMBL5187916
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
CC(C)(C)OC(=O)c1cccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C(F)(F)F)c43)c12
Basic Information
| ChEMBL ID | CHEMBL5187916 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFYVXKJBWUVUCP-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
431.4
MW (Da)
4.76
ALogP
5
HBA
1
HBD
89.4
PSA (Ų)
0.27
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.96
Ki 1 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | EC50 | 8.96 | 8.96 | 1.1 | 1 |
| Androgen receptor CHEMBL1871 | Ki | 8.06 | 8.06 | 8.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | EC50 | = | 1.1 | nM | 8.96 | Agonist activity at human Androgen receptor | 35786895 |
| Androgen receptor | Ki | = | 8.7 | nM | 8.06 | Binding affinity to human Androgen receptor | 35786895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35786895 | 10.1021/acs.jmedchem.2c00716 | Androgen receptor | 3 |
Data from ChEMBL 36 via Core Engine