Compound Detail
CHEMBL33862
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 | CHEMBL33862 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSDNSKZEYQJJAH-OCEACIFDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
466.6
MW (Da)
4.58
ALogP
5
HBA
1
HBD
81.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steryl-sulfatase CHEMBL3531 | Ki | 4.45 | 4.45 | 35900.0 | 1 |
| Steryl-sulfatase CHEMBL3559 | Ki | 4.45 | 4.45 | 35900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Steryl-sulfatase | Ki | = | 35900.0 | nM | 4.45 | In vitro binding affinity against estrone sulfatase in rat liver microsomes | 10021916 |
| Steryl-sulfatase | Ki | = | 35900.0 | nM | 4.45 | Inhibition of sulfatase (unknown origin) | 31129450 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10021916 | 10.1016/s0960-894x(98)00707-0 | Steryl-sulfatase | 1 |
| 31129450 | 10.1016/j.ejmech.2019.05.023 | Steryl-sulfatase | 1 |
Data from ChEMBL 36 via Core Engine