Compound Detail
CHEMBL4174088
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NS(=O)(=O)c1ccc(C[Se]c2ccc(NC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL4174088 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCFBGVNONQUTPR-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
730.7
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Ki | 9.03 | 9.03 | 0.9 | 1 |
| Carbonic anhydrase 7 CHEMBL2326 | Ki | 8.42 | 8.42 | 3.8 | 1 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 6.16 | 6.16 | 697.4 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 6.12 | 6.12 | 755.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Ki | = | 0.94 | nM | 9.03 | Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing ... | 29803994 |
| Carbonic anhydrase 7 | Ki | = | 3.8 | nM | 8.42 | Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing ... | 29803994 |
| Carbonic anhydrase 9 | Ki | = | 697.4 | nM | 6.16 | Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing ... | 29803994 |
| Carbonic anhydrase 1 | Ki | = | 755.4 | nM | 6.12 | Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing ... | 29803994 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29803994 | 10.1016/j.ejmech.2018.05.026 | Carbonic anhydrase 1 | 1 |
| 29803994 | 10.1016/j.ejmech.2018.05.026 | Carbonic anhydrase 2 | 1 |
| 29803994 | 10.1016/j.ejmech.2018.05.026 | Carbonic anhydrase 7 | 1 |
| 29803994 | 10.1016/j.ejmech.2018.05.026 | Carbonic anhydrase 9 | 1 |
Data from ChEMBL 36 via Core Engine