Compound Detail
CHEMBL141079
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Basic Information
| ChEMBL ID | CHEMBL141079 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPTRDYONBVUWPD-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
172.0
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Ki | 5.22 | 5.22 | 6000.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 5.19 | 5.19 | 6500.0 | 1 |
| Beta-lactamase CHEMBL2026 | Ki | 5.07 | 5.07 | 8500.0 | 1 |
| Carbonic anhydrase CHEMBL5337 | Ki | 5.03 | 5.03 | 9300.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Ki | = | 6000.0 | nM | 5.22 | Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for ... | 19375309 |
| Carbonic anhydrase 1 | Ki | = | 6500.0 | nM | 5.19 | Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for ... | 19375309 |
| Beta-lactamase | Ki | = | 8500.0 | nM | 5.07 | Inhibitory activity against Escherichia coli AmpC beta-lactamase. | 9804697 |
| Carbonic anhydrase | Ki | = | 9300.0 | nM | 5.03 | Inhibition of Candida albicans recombinant Carbonic anhydrase pre-incubated for ... | 19375309 |
| Unchecked | Ki | = | 11000.0 | nM | 4.96 | Inhibition of Cryptococcus neoformans recombinant Carbonic anhydrase 2 pre-incub... | 19375309 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11266183 | 10.1016/s0960-894x(01)00056-7 | Prostaglandin E2 receptor EP3 subtype | 1 |
| 9804697 | 10.1021/jm980343w | Beta-lactamase | 1 |
| 19375309 | 10.1016/j.bmcl.2009.03.147 | Carbonic anhydrase 1 | 1 |
| 19375309 | 10.1016/j.bmcl.2009.03.147 | Carbonic anhydrase 2 | 1 |
| 19375309 | 10.1016/j.bmcl.2009.03.147 | Unchecked | 1 |
| 19375309 | 10.1016/j.bmcl.2009.03.147 | Carbonic anhydrase | 1 |
| - | 10.1039/C1MD00011J | No relevant target | 1 |
| 24499135 | 10.1021/jm401808n | KB | 1 |
| 24499135 | 10.1021/jm401808n | Quinolone resistance protein NorA | 1 |
| 24499135 | 10.1021/jm401808n | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine