Compound Detail
CHEMBL304708
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Basic Information
| ChEMBL ID | CHEMBL304708 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWUJBMNPWUQTGS-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
277.3
MW (Da)
1.50
ALogP
4
HBA
1
HBD
86.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steryl-sulfatase CHEMBL3559 | IC50 | 5.29 | 4.5633 | 5100.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Steryl-sulfatase | IC50 | = | 5100.0 | nM | 5.29 | Inhibition of human steroid sulfatase compared to EMATE | 12127511 |
| Steryl-sulfatase | IC50 | = | 63000.0 | nM | 4.2 | Inhibition of Estrone sulfatase | 11277533 |
| Steryl-sulfatase | IC50 | = | 63000.0 | nM | 4.2 | Inhibition of estrone sulfatase (ES) | 11549461 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11277533 | 10.1016/s0960-894x(01)00086-5 | Steryl-sulfatase | 3 |
| 11549461 | 10.1016/s0960-894x(01)00482-6 | Steryl-sulfatase | 3 |
| 25992880 | 10.1021/acs.jmedchem.5b00386 | Steryl-sulfatase | 2 |
| 12127511 | 10.1016/s0960-894x(02)00381-5 | Steryl-sulfatase | 1 |
| 11549461 | 10.1016/s0960-894x(01)00482-6 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine