Compound Detail
CHEMBL4069637
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Cc1ccc(S(=O)(=O)Nc2cc(C)ccc2[Se][Se]c2ccc(C)cc2NS(=O)(=O)c2ccc(C)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL4069637 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQLDISKCBJFIRV-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
678.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 5.8 | 5.8 | 1600.0 | 1 |
| Carbonic anhydrase 7 CHEMBL2326 | Ki | 5.24 | 5.24 | 5800.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 4.51 | 4.51 | 30900.0 | 1 |
| Carbonic anhydrase 4 CHEMBL3729 | Ki | 4.1 | 4.1 | 78900.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 4.09 | 4.09 | 81300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 9 | Ki | = | 1600.0 | nM | 5.8 | Inhibition of recombinant human transmembrane carbonic anhydrase 9 pretreated fo... | 28302505 |
| Carbonic anhydrase 7 | Ki | = | 5800.0 | nM | 5.24 | Inhibition of recombinant human cytosolic carbonic anhydrase 7 pretreated for 15... | 28302505 |
| Carbonic anhydrase 2 | Ki | = | 30900.0 | nM | 4.51 | Inhibition of recombinant human cytosolic carbonic anhydrase 2 pretreated for 15... | 28302505 |
| Carbonic anhydrase 4 | Ki | = | 78900.0 | nM | 4.1 | Inhibition of recombinant human membrane bound carbonic anhydrase 4 pretreated f... | 28302505 |
| Carbonic anhydrase 1 | Ki | = | 81300.0 | nM | 4.09 | Inhibition of recombinant human cytosolic carbonic anhydrase 1 pretreated for 15... | 28302505 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28302505 | 10.1016/j.bmc.2017.03.013 | Carbonic anhydrase 1 | 1 |
| 28302505 | 10.1016/j.bmc.2017.03.013 | Carbonic anhydrase 9 | 1 |
| 28302505 | 10.1016/j.bmc.2017.03.013 | Carbonic anhydrase 7 | 1 |
| 28302505 | 10.1016/j.bmc.2017.03.013 | Carbonic anhydrase 4 | 1 |
| 28302505 | 10.1016/j.bmc.2017.03.013 | Carbonic anhydrase 2 | 1 |
Data from ChEMBL 36 via Core Engine