Compound Detail
CHEMBL4637433
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Basic Information
| ChEMBL ID | CHEMBL4637433 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEJKGMZPNSBOTF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
384.9
MW (Da)
2.62
ALogP
4
HBA
2
HBD
98.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steryl-sulfatase CHEMBL3559 | IC50 | 7.59 | 7.205 | 25.8 | 2 |
| T47D CHEMBL614361 | IC50 | 5.98 | 5.98 | 1040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Steryl-sulfatase | IC50 | = | 25.8 | nM | 7.59 | Inhibition of steroid sulfatase in human JEG3 cell lysates using [3H] E1S as sub... | 32173116 |
| Steryl-sulfatase | IC50 | = | 150.0 | nM | 6.82 | Inhibition of steroid sulfatase in human JEG3 cells using [3H] E1S as substrate ... | 32173116 |
| T47D | IC50 | = | 1040.0 | nM | 5.98 | Antiproliferative activity against human T47D cells assessed as reduction in cel... | 32173116 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32173116 | 10.1016/j.bmc.2020.115406 | Steryl-sulfatase | 3 |
| 32173116 | 10.1016/j.bmc.2020.115406 | T47D | 1 |
Data from ChEMBL 36 via Core Engine