Compound Detail
CHEMBL1644702
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Basic Information
| ChEMBL ID | CHEMBL1644702 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOEDMOKWFYRVSN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
303.3
MW (Da)
2.05
ALogP
7
HBA
0
HBD
65.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase CHEMBL3649 | IC50 | 6.57 | 6.57 | 269.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.57 | 6.57 | 269.0 | 1 |
| Xanthine dehydrogenase/oxidase CHEMBL1075246 | IC50 | 6.54 | 6.54 | 289.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase | IC50 | = | 269.0 | nM | 6.57 | Inhibition of bovine milk xanthine oxidase by spectrophotometry | 21163661 |
| Unchecked | IC50 | = | 269.0 | nM | 6.57 | Inhibition of microbial xanthine oxidase by spectrophotometry | 21163661 |
| Xanthine dehydrogenase/oxidase | IC50 | = | 289.0 | nM | 6.54 | Inhibition of rat liver xanthine oxidase by spectrophotometry | 21163661 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21163661 | 10.1016/j.bmc.2010.11.034 | Xanthine dehydrogenase/oxidase | 2 |
| 21163661 | 10.1016/j.bmc.2010.11.034 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine