Compound Detail
CHEMBL1825045
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Basic Information
| ChEMBL ID | CHEMBL1825045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSDZKTHBAYAIGU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
290.3
MW (Da)
2.78
ALogP
5
HBA
0
HBD
63.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 5.87 | 5.87 | 1360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 1360.0 | nM | 5.87 | Inhibition of aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate ... | 21703734 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21703734 | 10.1016/j.ejmech.2011.05.074 | NCI-H295R | 2 |
| 21703734 | 10.1016/j.ejmech.2011.05.074 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine