Compound Detail
CHEMBL5285533
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O=C(CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12)NS(=O)(=O)c1cccc([N+](=O)[O-])c1
Basic Information
| ChEMBL ID | CHEMBL5285533 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVBDRPKICPOPTK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
592.7
MW (Da)
4.98
ALogP
10
HBA
1
HBD
141.3
PSA (Ų)
0.12
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 22 member 12 CHEMBL6120 | IC50 | 4.94 | 4.94 | 11540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 22 member 12 | IC50 | = | 11540.0 | nM | 4.94 | Inhibition of human URAT1 mediated 14C-uric acid uptake expressed in HEK293 cell... | 36219903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36219903 | 10.1016/j.ejmech.2022.114816 | Solute carrier family 22 member 12 | 1 |
Data from ChEMBL 36 via Core Engine