Compound Detail
CHEMBL5272958
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CC(C)(C)c1ccc(S(=O)(=O)NC(=O)CSc2nc3sccc3c(=O)n2-c2ccc(C3CC3)c3ccccc23)cc1
Basic Information
| ChEMBL ID | CHEMBL5272958 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKFXQAAGTXHNSP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
603.8
MW (Da)
6.37
ALogP
8
HBA
1
HBD
98.1
PSA (Ų)
0.17
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 22 member 12 CHEMBL6120 | IC50 | 4.87 | 4.87 | 13460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 22 member 12 | IC50 | = | 13460.0 | nM | 4.87 | 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