Compound Detail
CHEMBL226842
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Basic Information
| ChEMBL ID | CHEMBL226842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKYWDCFMCROKHI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
359.3
MW (Da)
3.34
ALogP
6
HBA
1
HBD
78.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 9.06 | 9.06 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 0.88 | nM | 9.06 | Inhibition of aromatase in JEG3 cell membrane | 17580845 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17580845 | 10.1021/jm061462b | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine