Compound Detail
CHEMBL4857427
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 | CHEMBL4857427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNWOQPDTXJOYDK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
255.7
MW (Da)
2.31
ALogP
4
HBA
2
HBD
78.9
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 2-Hydroxyacid oxidase 1 CHEMBL4229 | IC50 | 8.17 | 8.17 | 6.7 | 1 |
| 2-Hydroxyacid oxidase 1 CHEMBL4295985 | IC50 | 7.84 | 7.84 | 14.6 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.83 | 6.83 | 149.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 2-Hydroxyacid oxidase 1 | IC50 | = | 6.7 | nM | 8.17 | Inhibition of recombinant human GOX expressed in Escherichia coli C41 (DE3) usin... | 34267881 |
| 2-Hydroxyacid oxidase 1 | IC50 | = | 14.6 | nM | 7.84 | Inhibition of recombinant mouse GOX expressed in Escherichia coli C41 (DE3) usin... | 34267881 |
| Unchecked | IC50 | = | 149.0 | nM | 6.83 | Inhibition of GOX/LDHA in Ag xt knockdown PH1 mouse primary hepatocyte assessed ... | 34267881 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34267881 | 10.1021/acsmedchemlett.1c00196 | 2-Hydroxyacid oxidase 1 | 2 |
| 34267881 | 10.1021/acsmedchemlett.1c00196 | Unchecked | 2 |
| 34267881 | 10.1021/acsmedchemlett.1c00196 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine