Compound Detail
CHEMBL4216562
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Basic Information
| ChEMBL ID | CHEMBL4216562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPJDHSYCSQAODE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
464.9
MW (Da)
4.84
ALogP
7
HBA
0
HBD
88.1
PSA (Ų)
0.31
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutathione S-transferase P CHEMBL3902 | IC50 | 7.29 | 7.29 | 51.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutathione S-transferase P | IC50 | = | 51.2 | nM | 7.29 | Inhibition of human GSTP1-1 expressed in HEK293 cells by by CDNB-GSH conjugation... | 29652143 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29652143 | 10.1021/acs.jmedchem.8b00318 | Glutathione S-transferase P | 1 |
Data from ChEMBL 36 via Core Engine