Compound Detail
CHEMBL2419923
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Basic Information
| ChEMBL ID | CHEMBL2419923 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJBRZBKZOVAHSO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
314.3
MW (Da)
4.83
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.46 | 6.46 | 347.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 347.0 | nM | 6.46 | Inhibition of butter milk xanthine oxidase (unknown origin) assessed as reductio... | 28478180 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28478180 | 10.1016/j.ejmech.2017.04.031 | Unchecked | 2 |
| 23844653 | 10.1021/jm301913k | Oxysterols receptor LXR-beta | 1 |
| 29196136 | 10.1016/j.bmcl.2017.11.033 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine