Compound Detail
CHEMBL5597556
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Basic Information
| ChEMBL ID | CHEMBL5597556 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQEJVMNRRSANFM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
263.2
MW (Da)
3.67
ALogP
3
HBA
1
HBD
74.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase CHEMBL1929 | IC50 | 6.23 | 6.23 | 591.0 | 1 |
| Solute carrier family 22 member 12 CHEMBL6120 | IC50 | 6.22 | 6.22 | 598.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase | IC50 | = | 591.0 | nM | 6.23 | Inhibition of xanthine oxidase (unknown origin) by absorbance based assay | 39108024 |
| Solute carrier family 22 member 12 | IC50 | = | 598.0 | nM | 6.22 | Inhibition of URAT1 (unknown origin) by absorbance based assay | 39108024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39108024 | 10.1021/acs.jmedchem.4c01480 | Xanthine dehydrogenase/oxidase | 1 |
| 39108024 | 10.1021/acs.jmedchem.4c01480 | Solute carrier family 22 member 12 | 1 |
Data from ChEMBL 36 via Core Engine