Compound Detail
CHEMBL5395909
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 | CHEMBL5395909 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXIYQNKIZWYBSD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
287.3
MW (Da)
2.63
ALogP
5
HBA
2
HBD
90.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase CHEMBL1929 | IC50 | 7.62 | 5.98 | 24.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase | IC50 | = | 24.0 | nM | 7.62 | Inhibition of XO (unknown origin) using xanthine as substrate by spectrophotomet... | 37974965 |
| Xanthine dehydrogenase/oxidase | IC50 | = | 45450.0 | nM | 4.34 | Inhibition of XO (unknown origin) using xanthine as substrate assessed as decrea... | 37974965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37974965 | 10.1039/d3md00316g | Xanthine dehydrogenase/oxidase | 2 |
Data from ChEMBL 36 via Core Engine