Compound Detail
CHEMBL4177456
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Basic Information
| ChEMBL ID | CHEMBL4177456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEPMJOBGEVCLNI-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
478.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Ki | 6.66 | 6.66 | 220.5 | 1 |
| Carbonic anhydrase 7 CHEMBL2326 | Ki | 6.53 | 6.53 | 295.6 | 1 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 5.97 | 5.97 | 1071.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 5.32 | 5.32 | 4767.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Ki | = | 220.5 | nM | 6.66 | Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing ... | 29803994 |
| Carbonic anhydrase 7 | Ki | = | 295.6 | nM | 6.53 | Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing ... | 29803994 |
| Carbonic anhydrase 9 | Ki | = | 1071.0 | nM | 5.97 | Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing ... | 29803994 |
| Carbonic anhydrase 1 | Ki | = | 4767.0 | nM | 5.32 | 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