Compound Detail
CHEMBL3402700
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Basic Information
| ChEMBL ID | CHEMBL3402700 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCJYKAXMEGJJHV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
3.85
ALogP
6
HBA
1
HBD
88.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9.0 | nM | 8.05 | Inhibition of butter milk Xanthine oxidase using xanthine as substrate preincuba... | 25704891 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25704891 | 10.1016/j.bmcl.2015.01.055 | Unchecked | 1 |
| 25704891 | 10.1016/j.bmcl.2015.01.055 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine