Compound Detail
CHEMBL4104399
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Basic Information
| ChEMBL ID | CHEMBL4104399 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXNJSGIETCZVFQ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
305.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 7 CHEMBL2326 | Ki | 5.19 | 5.19 | 6500.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 4.72 | 4.72 | 19100.0 | 1 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 4.43 | 4.43 | 37000.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 4.3 | 4.3 | 49500.0 | 1 |
| Carbonic anhydrase 4 CHEMBL3729 | Ki | 4.25 | 4.25 | 56800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 7 | Ki | = | 6500.0 | nM | 5.19 | Inhibition of recombinant human cytosolic carbonic anhydrase 7 pretreated for 15... | 28302505 |
| Carbonic anhydrase 2 | Ki | = | 19100.0 | nM | 4.72 | Inhibition of recombinant human cytosolic carbonic anhydrase 2 pretreated for 15... | 28302505 |
| Carbonic anhydrase 9 | Ki | = | 37000.0 | nM | 4.43 | Inhibition of recombinant human transmembrane carbonic anhydrase 9 pretreated fo... | 28302505 |
| Carbonic anhydrase 1 | Ki | = | 49500.0 | nM | 4.3 | Inhibition of recombinant human cytosolic carbonic anhydrase 1 pretreated for 15... | 28302505 |
| Carbonic anhydrase 4 | Ki | = | 56800.0 | nM | 4.25 | Inhibition of recombinant human membrane bound carbonic anhydrase 4 pretreated f... | 28302505 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28302505 | 10.1016/j.bmc.2017.03.013 | Carbonic anhydrase 2 | 1 |
| 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 |
Data from ChEMBL 36 via Core Engine