Compound Detail
CHEMBL176294
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Basic Information
| ChEMBL ID | CHEMBL176294 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFOTZWGFFSSZFR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
479.5
MW (Da)
-1.22
ALogP
9
HBA
6
HBD
222.4
PSA (Ų)
0.11
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutathione S-transferase P CHEMBL3902 | IC50 | 4.39 | 4.39 | 40300.0 | 1 |
| Glutathione S-transferase A2 CHEMBL2241 | IC50 | 4.32 | 4.32 | 48000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutathione S-transferase P | IC50 | = | 40300.0 | nM | 4.39 | Inhibitory activity against human Glutathione S-transferase P | 10853673 |
| Glutathione S-transferase A2 | IC50 | = | 48000.0 | nM | 4.32 | The compound was tested for it's inhibitory activity against Onchocerca volvulus... | 10853673 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10853673 | 10.1016/s0960-894x(00)00142-6 | Glutathione S-transferase A2 | 1 |
| 10853673 | 10.1016/s0960-894x(00)00142-6 | Glutathione S-transferase P | 1 |
| 10853673 | 10.1016/s0960-894x(00)00142-6 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine