Compound Detail
CHEMBL3623232
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Basic Information
| ChEMBL ID | CHEMBL3623232 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQBLWLMMDJRXNW-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
387.4
MW (Da)
1.95
ALogP
7
HBA
1
HBD
114.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 9.7 | 9.7 | 0.2 | 3 |
| Steryl-sulfatase CHEMBL3559 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 0.2 | nM | 9.7 | Inhibition of aromatase in human JEG-3 cells using [1beta-3H]androstenedione as ... | 26301554 |
| Aromatase | IC50 | = | 0.2 | nM | 9.7 | Inhibition of aromatase in human JEG3 cells using [1beta-3H] androstenedione as ... | 26689671 |
| Aromatase | IC50 | = | 0.2 | nM | 9.7 | Inhibition of human aromatase using ASD as substrate pre-incubated for 5 mins fo... | 28622580 |
| Steryl-sulfatase | IC50 | = | 2.5 | nM | 8.6 | Inhibition of steroid sulfatase in human JEG-3 cells using [6,7-3H]E1S as substr... | 26301554 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26301554 | 10.1016/j.ejmech.2015.08.010 | Aromatase | 1 |
| 26301554 | 10.1016/j.ejmech.2015.08.010 | Steryl-sulfatase | 1 |
| 26689671 | 10.1021/acs.jmedchem.5b01281 | Aromatase | 1 |
| 28622580 | 10.1016/j.ejmech.2017.05.041 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine