Compound Detail
CHEMBL1491941
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 | CHEMBL1491941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYIORJAACCWFPU-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
138.1
MW (Da)
0.36
ALogP
3
HBA
2
HBD
76.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.42
IC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D-aspartate oxidase CHEMBL5887 | Ki | 5.42 | 5.42 | 3800.0 | 1 |
| D-aspartate oxidase CHEMBL3616356 | Ki | 5.23 | 5.23 | 5890.0 | 1 |
| D-aspartate oxidase CHEMBL3616357 | Ki | 5.06 | 5.06 | 8690.0 | 1 |
| D-aspartate oxidase CHEMBL5887 | IC50 | 4.66 | 4.66 | 21900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D-aspartate oxidase | Ki | = | 3800.0 | nM | 5.42 | Binding affinity to human recombinant DDO | 26322531 |
| D-aspartate oxidase | Ki | = | 5890.0 | nM | 5.23 | Inhibition of rat recombinant DDO using D-Asp | 26322531 |
| D-aspartate oxidase | Ki | = | 8690.0 | nM | 5.06 | Inhibition of mouse recombinant DDO using D-Asp | 26322531 |
| D-aspartate oxidase | IC50 | = | 21900.0 | nM | 4.66 | Inhibition of human recombinant DDO expressed in Escherichia coli BL21(DE3) usin... | 26322531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26322531 | 10.1021/acs.jmedchem.5b00871 | D-aspartate oxidase | 9 |
| 23391306 | 10.1021/jm3017865 | Serine racemase | 1 |
| 23391306 | 10.1021/jm3017865 | D-aspartate oxidase | 1 |
| 23391306 | 10.1021/jm3017865 | D-amino-acid oxidase | 1 |
| 26322531 | 10.1021/acs.jmedchem.5b00871 | HeLa | 1 |
| 26322531 | 10.1021/acs.jmedchem.5b00871 | D-amino-acid oxidase | 1 |
Data from ChEMBL 36 via Core Engine