Compound Detail
CHEMBL75497
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Basic Information
| ChEMBL ID | CHEMBL75497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWNZEEOYVPLQJO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
262.4
MW (Da)
2.82
ALogP
3
HBA
3
HBD
74.6
PSA (Ų)
0.40
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutathione S-transferase kappa 1 CHEMBL4491 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutathione S-transferase kappa 1 | IC50 | = | 5200.0 | nM | 5.28 | Affinity towards recombinant Glutathione S-transferase (GST) Enzyme. | 9632361 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9632361 | 10.1021/jm970518m | Glutathione S-transferase kappa 1 | 1 |
Data from ChEMBL 36 via Core Engine