Compound Detail
CHEMBL226892
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Basic Information
| ChEMBL ID | CHEMBL226892 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCQQEWJTRSDEPH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
1.34
ALogP
8
HBA
1
HBD
127.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 9.11 | 9.11 | 0.8 | 1 |
| Steryl-sulfatase CHEMBL3559 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 0.77 | nM | 9.11 | Inhibition of aromatase in JEG3 cell membrane | 17580845 |
| Steryl-sulfatase | IC50 | = | 590.0 | nM | 6.23 | Inhibition of steroid sulfatase in JEG3 cell membrane | 17580845 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17580845 | 10.1021/jm061462b | Rattus norvegicus | 5 |
| 25992880 | 10.1021/acs.jmedchem.5b00386 | Rattus norvegicus | 3 |
| 17580845 | 10.1021/jm061462b | Aromatase | 1 |
| 17580845 | 10.1021/jm061462b | Steryl-sulfatase | 1 |
Data from ChEMBL 36 via Core Engine