Compound Detail
CHEMBL82860
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Basic Information
| ChEMBL ID | CHEMBL82860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNLHPJJZQQDTRV-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
285.4
MW (Da)
2.42
ALogP
4
HBA
1
HBD
86.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steryl-sulfatase CHEMBL3559 | IC50 | 5.47 | 5.3567 | 3400.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Steryl-sulfatase | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of placental microsomal estrone sulfatase (unknown origin) using [3H]... | 26974384 |
| Steryl-sulfatase | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of Estrone sulfatase | 11277533 |
| Steryl-sulfatase | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of estrone sulfatase (ES) | 11549461 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11277533 | 10.1016/s0960-894x(01)00086-5 | Steryl-sulfatase | 3 |
| 11549461 | 10.1016/s0960-894x(01)00482-6 | Steryl-sulfatase | 3 |
| 11549461 | 10.1016/s0960-894x(01)00482-6 | No relevant target | 1 |
| 26974384 | 10.1016/j.ejmech.2016.02.054 | Steryl-sulfatase | 1 |
Data from ChEMBL 36 via Core Engine