Compound Detail
CHEMBL4455012
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Basic Information
| ChEMBL ID | CHEMBL4455012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXPJAFTXHCOOJC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
3.76
ALogP
6
HBA
1
HBD
102.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase CHEMBL3649 | IC50 | 7.48 | 7.48 | 33.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase | IC50 | = | 33.4 | nM | 7.48 | Inhibition of bovine milk xanthine oxidase using xanthine as substrate preincuba... | 30630716 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30630716 | 10.1016/j.bmcl.2019.01.005 | Xanthine dehydrogenase/oxidase | 1 |
| 30630716 | 10.1016/j.bmcl.2019.01.005 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine