Compound Detail
CHEMBL3613913
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Basic Information
| ChEMBL ID | CHEMBL3613913 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNSXWOCNVXNZNZ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
143.1
MW (Da)
-1.83
ALogP
5
HBA
2
HBD
88.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D-amino-acid oxidase CHEMBL5485 | IC50 | 5.55 | 5.5267 | 2800.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D-amino-acid oxidase | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of recombinant human DAAO expressed in HEK cells using D-serine as su... | 26309148 |
| D-amino-acid oxidase | IC50 | = | 3000.0 | nM | 5.52 | In Vitro Assay: A reliable 96-well plate D-amino acid oxidase (DAAO) assay was d... | - |
| D-amino-acid oxidase | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of DAAO (unknown origin) | 26309148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26309148 | 10.1021/acs.jmedchem.5b00482 | D-amino-acid oxidase | 2 |
Data from ChEMBL 36 via Core Engine