Compound Detail
CHEMBL5175340
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Basic Information
| ChEMBL ID | CHEMBL5175340 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQYVFWLVOCMHQJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
309.3
MW (Da)
3.51
ALogP
5
HBA
1
HBD
64.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 9.41 | 9.41 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 0.39 | nM | 9.41 | Inhibition of aromatase in human JEG-3 cells using Androst-4-ene-3,17-dione as s... | 35834906 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35834906 | 10.1016/j.ejmech.2022.114569 | Aromatase | 1 |
| 35834906 | 10.1016/j.ejmech.2022.114569 | MCF-10A | 1 |
| 35834906 | 10.1016/j.ejmech.2022.114569 | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine