Compound Detail
CHEMBL76374
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Basic Information
| ChEMBL ID | CHEMBL76374 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTGVRFABWYOAMJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
1.23
ALogP
5
HBA
1
HBD
95.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steryl-sulfatase CHEMBL3559 | IC50 | 4.98 | 4.98 | 10500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Steryl-sulfatase | IC50 | = | 10500.0 | nM | 4.98 | Inhibition of estrone sulfatase | 14741252 |
| Steryl-sulfatase | IC50 | = | 10500.0 | nM | 4.98 | Inhibitory activity against Estrone Sulfatase | 12161140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12161140 | 10.1016/s0960-894x(02)00383-9 | Steryl-sulfatase | 3 |
| 14741252 | 10.1016/j.bmcl.2003.11.067 | No relevant target | 2 |
| 14741252 | 10.1016/j.bmcl.2003.11.067 | Steryl-sulfatase | 2 |
| 12161140 | 10.1016/s0960-894x(02)00383-9 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine