Compound Detail
CHEMBL494235
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Basic Information
| ChEMBL ID | CHEMBL494235 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITVNWQQOJXXTTI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
179.2
MW (Da)
1.37
ALogP
2
HBA
2
HBD
53.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D-amino-acid oxidase CHEMBL5485 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| D-amino-acid oxidase CHEMBL5756 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| D-aspartate oxidase CHEMBL5887 | IC50 | 5.33 | 5.33 | 4620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D-amino-acid oxidase | IC50 | = | 3.0 | nM | 8.52 | Inhibition of human recombinant DAAO expressed in sf9 insect cells assessed as d... | 19438227 |
| D-amino-acid oxidase | IC50 | = | 180.0 | nM | 6.75 | Inhibition of rat recombinant DAAO expressed in sf9 insect cells assessed as deg... | 19438227 |
| D-aspartate oxidase | IC50 | = | 4620.0 | nM | 5.33 | Inhibition of human recombinant DDO expressed in sf9 insect cells assessed as de... | 19438227 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19438227 | 10.1021/jm900128w | D-amino-acid oxidase | 2 |
| 19438227 | 10.1021/jm900128w | Unchecked | 2 |
| 19438227 | 10.1021/jm900128w | D-aspartate oxidase | 1 |
Data from ChEMBL 36 via Core Engine