Compound Detail
CHEMBL3754082
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Basic Information
| ChEMBL ID | CHEMBL3754082 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXBWOIQNLSJBJI-DAFODLJHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
304.2
MW (Da)
1.82
ALogP
7
HBA
6
HBD
138.4
PSA (Ų)
0.29
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase CHEMBL3649 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase | IC50 | = | 5500.0 | nM | 5.26 | Inhibition of bovine xanthine oxidase assessed as conversion of xanthine to uric... | 26762836 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26762836 | 10.1016/j.bmc.2015.12.024 | Xanthine dehydrogenase/oxidase | 1 |
| 26762836 | 10.1016/j.bmc.2015.12.024 | No relevant target | 1 |
| 26762836 | 10.1016/j.bmc.2015.12.024 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine