Compound Detail
CHEMBL121295
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Basic Information
| ChEMBL ID | CHEMBL121295 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTCGBZPUCMZJRJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
156.1
MW (Da)
0.49
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D-amino-acid oxidase CHEMBL5485 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D-amino-acid oxidase | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of human recombinant DAAO expressed in HEK293 cell lysate assessed as... | 23683589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8809155 | 10.1021/jm960220g | ADMET | 4 |
| 23683589 | 10.1016/j.bmcl.2013.04.062 | D-amino-acid oxidase | 1 |
Data from ChEMBL 36 via Core Engine