Compound Detail
CHEMBL4063436
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COc1ccc(C2C[Se]c3ccc(Cl)cc3N2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1
Basic Information
| ChEMBL ID | CHEMBL4063436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNFJQMZESLSJGU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
523.9
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Ki | 4.22 | 4.22 | 59600.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 4.1 | 4.1 | 80100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Ki | = | 59600.0 | nM | 4.22 | Inhibition of recombinant human cytosolic carbonic anhydrase 2 pretreated for 15... | 28302505 |
| Carbonic anhydrase 1 | Ki | = | 80100.0 | nM | 4.1 | 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