Compound Detail
CHEMBL4453737
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Basic Information
| ChEMBL ID | CHEMBL4453737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUXLASSRXSNOFL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
312.8
MW (Da)
2.04
ALogP
4
HBA
3
HBD
82.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 4.66 | 4.66 | 21700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 21700.0 | nM | 4.66 | Inhibition of recombinant human aromatase preincubated for 10 mins followed by s... | 30822713 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30822713 | 10.1016/j.ejmech.2019.02.045 | Aromatase | 7 |
| 30822713 | 10.1016/j.ejmech.2019.02.045 | MCF7 | 1 |
| 30822713 | 10.1016/j.ejmech.2019.02.045 | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine