Compound Detail
CHEMBL4165761
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Basic Information
| ChEMBL ID | CHEMBL4165761 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMLWWZDAIUNEJJ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
505.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Ki | 8.03 | 8.03 | 9.4 | 1 |
| Carbonic anhydrase 7 CHEMBL2326 | Ki | 7.43 | 7.43 | 37.4 | 1 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 6.07 | 6.07 | 845.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 5.22 | 5.22 | 5995.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Ki | = | 9.4 | nM | 8.03 | Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing ... | 29803994 |
| Carbonic anhydrase 7 | Ki | = | 37.4 | nM | 7.43 | Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing ... | 29803994 |
| Carbonic anhydrase 9 | Ki | = | 845.0 | nM | 6.07 | Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing ... | 29803994 |
| Carbonic anhydrase 1 | Ki | = | 5995.0 | nM | 5.22 | 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