Compound Detail
CHEMBL2338805
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Basic Information
| ChEMBL ID | CHEMBL2338805 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDHDWGYWUPEHEN-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
276.3
MW (Da)
1.28
ALogP
5
HBA
2
HBD
84.4
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D-amino-acid oxidase CHEMBL2331068 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| D-amino-acid oxidase CHEMBL5485 | IC50 | 7.89 | 7.7933 | 13.0 | 3 |
| D-amino-acid oxidase CHEMBL5756 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D-amino-acid oxidase | IC50 | = | 12.0 | nM | 7.92 | Inhibition of mouse full length DAAO overexpressed in HEK293 cells after 30 mins... | 23566269 |
| D-amino-acid oxidase | IC50 | = | 13.0 | nM | 7.89 | Inhibition of human recombinant DAAO after 30 mins by plate reader analysis | 23566269 |
| D-amino-acid oxidase | IC50 | = | 13.0 | nM | 7.89 | DAAO Inhibitory Activity Assay: The DAAO inhibitory activity was measured by ass... | - |
| D-amino-acid oxidase | IC50 | = | 19.0 | nM | 7.72 | Inhibition of rat full length DAAO overexpressed in HEK293 cells after 30 mins b... | 23566269 |
| D-amino-acid oxidase | IC50 | = | 25.0 | nM | 7.6 | Inhibition of human full length DAAO overexpressed in HEK293 cells after 30 mins... | 23566269 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23566269 | 10.1021/jm400095b | D-amino-acid oxidase | 4 |
Data from ChEMBL 36 via Core Engine