Compound Detail
CHEMBL172687
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Basic Information
| ChEMBL ID | CHEMBL172687 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCZLTWZTGIUOLC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
1.38
ALogP
6
HBA
1
HBD
91.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase CHEMBL3649 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase | IC50 | = | 700.0 | nM | 6.16 | In vitro inhibitory concentration against Xanthine oxidase | 11294382 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11294382 | 10.1016/s0960-894x(01)00093-2 | Xanthine dehydrogenase/oxidase | 1 |
Data from ChEMBL 36 via Core Engine