Compound Detail
CHEMBL5176414
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5176414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNMVJQZFJYXDJA-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
309.2
MW (Da)
1.74
ALogP
3
HBA
2
HBD
89.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.47
IC50 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D-amino-acid oxidase CHEMBL5485 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| D-amino-acid oxidase CHEMBL2331068 | EC50 | 6.47 | 6.47 | 340.0 | 1 |
| D-amino-acid oxidase CHEMBL5485 | EC50 | 6.27 | 6.27 | 540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D-amino-acid oxidase | IC50 | = | 250.0 | nM | 6.6 | Inhibition of recombinant full length human DAO preincubated with compound for 2... | 35482677 |
| D-amino-acid oxidase | EC50 | = | 340.0 | nM | 6.47 | Inhibition of full length mouse DAO transfected with CHO-K1 cells incubated for ... | 35482677 |
| D-amino-acid oxidase | EC50 | = | 540.0 | nM | 6.27 | Inhibition of full length human DAO transfected in CHO-K1 cells incubated for 30... | 35482677 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35482677 | 10.1021/acs.jmedchem.2c00118 | D-amino-acid oxidase | 3 |
| 35482677 | 10.1021/acs.jmedchem.2c00118 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine