Compound Detail
CHEMBL1955869
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Basic Information
| ChEMBL ID | CHEMBL1955869 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLJHXHMHZAFZHH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
219.2
MW (Da)
2.90
ALogP
3
HBA
0
HBD
41.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 7.03 | 7.03 | 93.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 93.0 | nM | 7.03 | Inhibition of human aromatase coexpressed with P450 reductase by fluorimetry | 22335894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22335894 | 10.1016/j.bmcl.2012.01.076 | Unchecked | 3 |
| 22335894 | 10.1016/j.bmcl.2012.01.076 | Aromatase | 2 |
Data from ChEMBL 36 via Core Engine