Compound Detail
CHEMBL2338792
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Basic Information
| ChEMBL ID | CHEMBL2338792 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVTXBSWKKUAAHP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
194.2
MW (Da)
1.52
ALogP
3
HBA
2
HBD
66.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D-amino-acid oxidase CHEMBL5485 | IC50 | 6.52 | 6.24 | 300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D-amino-acid oxidase | IC50 | = | 300.0 | nM | 6.52 | Inhibition of human recombinant DAAO after 30 mins by plate reader analysis | 23566269 |
| D-amino-acid oxidase | IC50 | = | 1100.0 | nM | 5.96 | Enzyme Assay: The functional activity of compounds inhibiting the DAAO enzyme wa... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23566269 | 10.1021/jm400095b | D-amino-acid oxidase | 4 |
Data from ChEMBL 36 via Core Engine