Compound Detail
CHEMBL421491
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Basic Information
| ChEMBL ID | CHEMBL421491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCNZMBLUQMGTAY-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
304.4
MW (Da)
2.85
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Ki 1 meas. best 4.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | Ki | 4.35 | 4.35 | 45000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | Ki | = | 45000.0 | nM | 4.35 | The binding affinity was determined on Cytochrome P450 19A1 by analysis of Dixon... | 8035427 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8035427 | 10.1021/jm00040a012 | Aromatase | 2 |
Data from ChEMBL 36 via Core Engine