Compound Detail
CHEMBL4294702
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Basic Information
| ChEMBL ID | CHEMBL4294702 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLDTYMGZAXZDDU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
2.91
ALogP
8
HBA
2
HBD
107.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase CHEMBL3649 | IC50 | 4.68 | 4.68 | 21030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase | IC50 | = | 21030.0 | nM | 4.68 | Inhibition of bovine milk xanthine oxidase using xanthine as substrate preincuba... | 29207340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29207340 | 10.1016/j.ejmech.2017.11.071 | Xanthine dehydrogenase/oxidase | 2 |
Data from ChEMBL 36 via Core Engine