Compound Detail
CHEMBL479942
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Basic Information
| ChEMBL ID | CHEMBL479942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOCLDVNYMUPLRM-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
425.4
MW (Da)
0.08
ALogP
9
HBA
2
HBD
169.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 5.52 | 5.52 | 3000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 3044.0 | nM | 5.52 | Inhibition of aromatase activity in human JEG3 cells | 18590272 |
| Aromatase | IC50 | = | 3044.0 | nM | 5.52 | Inhibition of aromatase (unknown origin) expressed in JEG-3 cells | 25992880 |
| Aromatase | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of aromatase in human JEG-3 cells using [1beta-3H]androstenedione as ... | 26301554 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18590272 | 10.1021/jm800168s | Rattus norvegicus | 2 |
| 25992880 | 10.1021/acs.jmedchem.5b00386 | Rattus norvegicus | 2 |
| 18590272 | 10.1021/jm800168s | Aromatase | 1 |
| 18590272 | 10.1021/jm800168s | Steryl-sulfatase | 1 |
| 25992880 | 10.1021/acs.jmedchem.5b00386 | Steryl-sulfatase | 1 |
| 25992880 | 10.1021/acs.jmedchem.5b00386 | Aromatase | 1 |
| 26301554 | 10.1016/j.ejmech.2015.08.010 | Aromatase | 1 |
| 26301554 | 10.1016/j.ejmech.2015.08.010 | Steryl-sulfatase | 1 |
Data from ChEMBL 36 via Core Engine