Compound Detail
CHEMBL4237565
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Basic Information
| ChEMBL ID | CHEMBL4237565 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLMCSUKQRLAWJT-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
204.2
MW (Da)
2.35
ALogP
3
HBA
2
HBD
70.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.45
IC50 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 2-Hydroxyacid oxidase 1 CHEMBL4295985 | EC50 | 5.45 | 5.1967 | 3590.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.032 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 2-Hydroxyacid oxidase 1 | EC50 | = | 3590.0 | nM | 5.45 | Inhibition of glycolate oxidase in C57BL/6 Agxt1-/- mouse hepatocytes using glyc... | 30028141 |
| 2-Hydroxyacid oxidase 1 | EC50 | = | 7880.0 | nM | 5.1 | Inhibition of glycolate oxidase in C57BL/6 Agxt1-/- mouse hepatocytes using glyc... | 30028141 |
| 2-Hydroxyacid oxidase 1 | EC50 | = | 9200.0 | nM | 5.04 | Inhibition of glycolate oxidase in C57BL/6 Agxt1-/- mouse hepatocytes using glyc... | 30028141 |
| Unchecked | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of horseradish peroxidase by oxalate detection based assay | 30028141 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30028141 | 10.1021/acs.jmedchem.8b00399 | 2-Hydroxyacid oxidase 1 | 7 |
| 30028141 | 10.1021/acs.jmedchem.8b00399 | Unchecked | 2 |
| 30028141 | 10.1021/acs.jmedchem.8b00399 | ADMET | 2 |
| 30028141 | 10.1021/acs.jmedchem.8b00399 | Hepatocyte | 1 |
Data from ChEMBL 36 via Core Engine