Compound Detail
CHEMBL518761
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 | CHEMBL518761 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGRBZPZPWNVVPZ-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
434.3
MW (Da)
2.13
ALogP
7
HBA
1
HBD
123.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 8.52 | 8.52 | 3.0 | 3 |
| Steryl-sulfatase CHEMBL3559 | IC50 | 5.58 | 5.58 | 2600.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 3.0 | nM | 8.52 | Inhibition of aromatase activity in human JEG3 cells | 18590272 |
| Aromatase | IC50 | = | 3.0 | nM | 8.52 | Inhibition of aromatase (unknown origin) expressed in JEG-3 cells | 25992880 |
| Aromatase | IC50 | = | 3.0 | nM | 8.52 | Inhibition of aromatase in human JEG-3 cells using [1beta-3H]androstenedione as ... | 26301554 |
| Steryl-sulfatase | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of steroid sulfatase activity in human JEG3 cells | 18590272 |
| Steryl-sulfatase | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of STS activity (unknown origin) expressed in JEG-3 cells | 25992880 |
| Steryl-sulfatase | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of steroid sulfatase in human JEG-3 cells using [6,7-3H]E1S as substr... | 26301554 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18590272 | 10.1021/jm800168s | Aromatase | 1 |
| 18590272 | 10.1021/jm800168s | Steryl-sulfatase | 1 |
| 25992880 | 10.1021/acs.jmedchem.5b00386 | Steryl-sulfatase | 1 |
| 25992880 | 10.1021/acs.jmedchem.5b00386 | Aromatase | 1 |
| 26301554 | 10.1016/j.ejmech.2015.08.010 | Aromatase | 1 |
| 26301554 | 10.1016/j.ejmech.2015.08.010 | Steryl-sulfatase | 1 |
Data from ChEMBL 36 via Core Engine