Compound Detail
CHEMBL322322
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Basic Information
| ChEMBL ID | CHEMBL322322 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFEGGMQPNANNRK-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
404.8
MW (Da)
1.86
ALogP
8
HBA
1
HBD
127.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 8.64 | 8.64 | 2.3 | 2 |
| Steryl-sulfatase CHEMBL3559 | IC50 | 7.7 | 7.7 | 20.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 2.3 | nM | 8.64 | In vitro inhibition of [1-beta-3H]-androstenedione binding to Cytochrome P450 19... | 12852749 |
| Aromatase | IC50 | = | 2.3 | nM | 8.64 | Inhibition of aromatase (unknown origin) | 31129450 |
| Steryl-sulfatase | IC50 | = | 20.0 | nM | 7.7 | In vitro inhibition of [6,7-3H]E1S binding to steroid sulfatase in JEG-3 human p... | 12852749 |
| Steryl-sulfatase | IC50 | = | 20.0 | nM | 7.7 | Inhibition of sulfatase (unknown origin) | 31129450 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12852749 | 10.1021/jm034033b | Aromatase | 1 |
| 12852749 | 10.1021/jm034033b | Steryl-sulfatase | 1 |
| 31129450 | 10.1016/j.ejmech.2019.05.023 | Aromatase | 1 |
| 31129450 | 10.1016/j.ejmech.2019.05.023 | Steryl-sulfatase | 1 |
Data from ChEMBL 36 via Core Engine