Compound Detail
CHEMBL2397821
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Basic Information
| ChEMBL ID | CHEMBL2397821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUSQWHSWMLHBQZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
303.2
MW (Da)
3.94
ALogP
4
HBA
1
HBD
50.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D-amino-acid oxidase CHEMBL5485 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D-amino-acid oxidase | IC50 | = | 100.0 | nM | 7.0 | Inhibition of human recombinant DAAO expressed in HEK293 cell lysate assessed as... | 23683589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25408840 | 10.1021/ml500335z | ADMET | 2 |
| 26309148 | 10.1021/acs.jmedchem.5b00482 | ADMET | 2 |
| 26965861 | 10.1016/j.bmcl.2016.02.068 | ADMET | 2 |
| 23683589 | 10.1016/j.bmcl.2013.04.062 | D-amino-acid oxidase | 1 |
Data from ChEMBL 36 via Core Engine