Compound Detail
CHEMBL189065
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CC1(C)OB(c2ccc(N/C(S)=N/c3ccc(S(=O)(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)cc2)OC1(C)C
Basic Information
| ChEMBL ID | CHEMBL189065 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUEIARHVKGBUPX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
596.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Ki | 8.29 | 8.29 | 5.1 | 1 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 8.14 | 8.14 | 7.3 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 7.47 | 7.47 | 34.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Ki | = | 5.1 | nM | 8.29 | Inhibition constant against human recombinant carbonic anhydrase II | 15908201 |
| Carbonic anhydrase 9 | Ki | = | 7.3 | nM | 8.14 | Inhibition constant against human recombinant carbonic anhydrase IX catalytic do... | 15908201 |
| Carbonic anhydrase 1 | Ki | = | 34.0 | nM | 7.47 | Inhibition constant against human recombinant carbonic anhydrase I | 15908201 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15908201 | 10.1016/j.bmcl.2005.04.058 | Carbonic anhydrase 1 | 1 |
| 15908201 | 10.1016/j.bmcl.2005.04.058 | Carbonic anhydrase 2 | 1 |
| 15908201 | 10.1016/j.bmcl.2005.04.058 | Carbonic anhydrase 9 | 1 |
Data from ChEMBL 36 via Core Engine