Compound Detail
CHEMBL3805223
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Basic Information
| ChEMBL ID | CHEMBL3805223 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXVOPPXUDKVAEI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
276.5
MW (Da)
1.03
ALogP
3
HBA
2
HBD
78.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D-amino-acid oxidase CHEMBL6172 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| D-amino-acid oxidase CHEMBL5485 | IC50 | 5.86 | 5.86 | 1380.0 | 1 |
| D-amino-acid oxidase CHEMBL5756 | IC50 | 5.1 | 5.1 | 7990.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D-amino-acid oxidase | IC50 | = | 240.0 | nM | 6.62 | Inhibition of DAAO in porcine kidney homogenate using D-alanine as substrate ass... | 27089209 |
| D-amino-acid oxidase | IC50 | = | 1380.0 | nM | 5.86 | Inhibition of human recombinant DAAO using D-alanine as substrate assessed as py... | 27089209 |
| D-amino-acid oxidase | IC50 | = | 7990.0 | nM | 5.1 | Inhibition of rat spinal DAAO using D-alanine as substrate assessed as pyruvate ... | 27089209 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27089209 | 10.1016/j.ejmech.2016.04.017 | D-amino-acid oxidase | 3 |
Data from ChEMBL 36 via Core Engine