Compound Detail
CHEMBL2338794
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Basic Information
| ChEMBL ID | CHEMBL2338794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMXKLTIAOPZORZ-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
218.2
MW (Da)
1.05
ALogP
4
HBA
2
HBD
75.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D-amino-acid oxidase CHEMBL5485 | IC50 | 8.66 | 8.512 | 2.2 | 5 |
| D-amino-acid oxidase CHEMBL2331068 | IC50 | 8.34 | 8.34 | 4.6 | 1 |
| D-amino-acid oxidase CHEMBL5756 | IC50 | 8.19 | 8.19 | 6.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D-amino-acid oxidase | IC50 | = | 2.2 | nM | 8.66 | Inhibition of human recombinant DAAO after 30 mins by plate reader analysis | 23566269 |
| D-amino-acid oxidase | IC50 | = | 2.2 | nM | 8.66 | Inhibition Assay: The DAAO inhibitory activity was measured by assaying the amou... | - |
| D-amino-acid oxidase | IC50 | = | 2.2 | nM | 8.66 | DAAO Inhibitory Activity Assay: The DAAO inhibitory activity was measured by ass... | - |
| D-amino-acid oxidase | IC50 | = | 4.6 | nM | 8.34 | Inhibition of mouse full length DAAO overexpressed in HEK293 cells after 30 mins... | 23566269 |
| D-amino-acid oxidase | IC50 | = | 5.1 | nM | 8.29 | Inhibition of human full length DAAO overexpressed in HEK293 cells after 30 mins... | 23566269 |
| D-amino-acid oxidase | IC50 | = | 5.1 | nM | 8.29 | Inhibition Assay: This test was performed by partially modifying the method of P... | - |
| D-amino-acid oxidase | IC50 | = | 6.5 | nM | 8.19 | Inhibition of rat full length DAAO overexpressed in HEK293 cells after 30 mins b... | 23566269 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23566269 | 10.1021/jm400095b | D-amino-acid oxidase | 4 |
Data from ChEMBL 36 via Core Engine