Compound Detail
CHEMBL5194769
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Basic Information
| ChEMBL ID | CHEMBL5194769 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIASGIMSIFVHQL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
284.2
MW (Da)
1.87
ALogP
2
HBA
2
HBD
65.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D-amino-acid oxidase CHEMBL5485 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D-amino-acid oxidase | IC50 | = | 340.0 | nM | 6.47 | Inhibition of recombinant full length human DAO preincubated with compound for 2... | 35482677 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35482677 | 10.1021/acs.jmedchem.2c00118 | ADMET | 2 |
| 35482677 | 10.1021/acs.jmedchem.2c00118 | D-amino-acid oxidase | 1 |
| 35482677 | 10.1021/acs.jmedchem.2c00118 | Peroxidase C1A | 1 |
Data from ChEMBL 36 via Core Engine