Compound Detail
CHEMBL4203414
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4203414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIEMCIPHDSUSKL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
6.06
ALogP
5
HBA
1
HBD
76.7
PSA (Ų)
0.39
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutathione S-transferase omega-1 CHEMBL3174 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutathione S-transferase omega-1 | IC50 | = | 40.0 | nM | 7.4 | Inhibition of GSTO1-1 (unknown origin) by 4-NPG substrate based assay | 29652143 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29652143 | 10.1021/acs.jmedchem.8b00318 | Glutathione S-transferase omega-1 | 1 |
Data from ChEMBL 36 via Core Engine