Compound Detail
CHEMBL2338783
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Basic Information
| ChEMBL ID | CHEMBL2338783 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJGLCXBDYCEVIE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
145.5
MW (Da)
0.73
ALogP
2
HBA
2
HBD
53.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D-amino-acid oxidase CHEMBL5485 | IC50 | 7.33 | 6.68 | 47.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D-amino-acid oxidase | IC50 | = | 47.0 | nM | 7.33 | Inhibition of human recombinant DAAO after 30 mins by plate reader analysis | 23566269 |
| D-amino-acid oxidase | IC50 | = | 930.0 | nM | 6.03 | Inhibition of DAAO (unknown origin) by cell based assay | 23566269 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23566269 | 10.1021/jm400095b | D-amino-acid oxidase | 2 |
| 23566269 | 10.1021/jm400095b | ADMET | 1 |
Data from ChEMBL 36 via Core Engine