Compound Detail
CHEMBL5979764
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Basic Information
| ChEMBL ID | CHEMBL5979764 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNQASPCCBGXSTA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
279.2
MW (Da)
2.28
ALogP
5
HBA
2
HBD
98.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase CHEMBL1929 | IC50 | 7.02 | 7.02 | 94.8 | 1 |
| Solute carrier family 22 member 12 CHEMBL6120 | IC50 | 6.75 | 6.75 | 179.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase | IC50 | = | 94.8 | nM | 7.02 | XO (Xanthine Oxidase) Inhibition Activity Assay: The compound was diluted 2.5 fo... | - |
| Solute carrier family 22 member 12 | IC50 | = | 179.0 | nM | 6.75 | URAT1 (Urate Anion Transporter) Inhibition Activity Assay: a. Construction of a ... | - |
Data from ChEMBL 36 via Core Engine