Compound Detail
CHEMBL468497
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL468497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSRVOYKJNNIOQK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
175.2
MW (Da)
1.54
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 2 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D-amino-acid oxidase CHEMBL5485 | IC50 | 4.76 | 4.76 | 17300.0 | 1 |
| D-aspartate oxidase CHEMBL5887 | IC50 | 4.49 | 4.49 | 32300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D-amino-acid oxidase | IC50 | = | 17300.0 | nM | 4.76 | Inhibition of human recombinant DAAO expressed in sf9 insect cells assessed as d... | 19438227 |
| D-aspartate oxidase | IC50 | = | 32300.0 | nM | 4.49 | 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 | D-aspartate oxidase | 1 |
| 19438227 | 10.1021/jm900128w | Unchecked | 1 |
| 24936242 | 10.1021/ml4001112 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine