Compound Detail
CHEMBL4643348
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
COc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CCC2(C)[C@H]1CC[C@@]2(O)Cc1ccc(C(C)(C)C)cc1
Basic Information
| ChEMBL ID | CHEMBL4643348 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNJWHSAEBOTZMZ-CCIKPDJQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
527.7
MW (Da)
5.40
ALogP
5
HBA
2
HBD
98.8
PSA (Ų)
0.54
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steryl-sulfatase CHEMBL3559 | IC50 | 10.4 | 10.4 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Steryl-sulfatase | IC50 | = | 0.04 | nM | 10.4 | Irreversible inhibition of human steroid sulfatase expressed in HEK293 cells usi... | 32122754 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32122754 | 10.1016/j.bmc.2020.115368 | Steryl-sulfatase | 1 |
Data from ChEMBL 36 via Core Engine