Compound Detail
CHEMBL4095150
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Cc1ccc(S(=O)(=O)N[C@H](C[Se][Se]C[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)CC(C)C)cc1
Basic Information
| ChEMBL ID | CHEMBL4095150 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQEXWKCCTMLOMX-ZEQRLZLVSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
666.7
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Ki | 4.88 | 4.88 | 13100.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 4.63 | 4.63 | 23200.0 | 1 |
| Carbonic anhydrase 4 CHEMBL3729 | Ki | 4.63 | 4.63 | 23500.0 | 1 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 4.53 | 4.53 | 29500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Ki | = | 13100.0 | nM | 4.88 | Inhibition of recombinant human cytosolic carbonic anhydrase 2 pretreated for 15... | 28302505 |
| Carbonic anhydrase 1 | Ki | = | 23200.0 | nM | 4.63 | Inhibition of recombinant human cytosolic carbonic anhydrase 1 pretreated for 15... | 28302505 |
| Carbonic anhydrase 4 | Ki | = | 23500.0 | nM | 4.63 | Inhibition of recombinant human membrane bound carbonic anhydrase 4 pretreated f... | 28302505 |
| Carbonic anhydrase 9 | Ki | = | 29500.0 | nM | 4.53 | Inhibition of recombinant human transmembrane carbonic anhydrase 9 pretreated fo... | 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