Compound Detail
CHEMBL539140
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Basic Information
| ChEMBL ID | CHEMBL539140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMGWFDHLFMBIDS-XBXARRHUSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
162.0
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Arginase-2, mitochondrial CHEMBL1795148 | Ki | 7.05 | 7.05 | 89.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 5.07 | 5.07 | 8600.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 4.74 | 4.74 | 18100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Arginase-2, mitochondrial | Ki | = | 89.0 | nM | 7.05 | Binding affinity to human Arg II | 34875836 |
| Carbonic anhydrase 1 | Ki | = | 8600.0 | nM | 5.07 | Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for ... | 19375309 |
| Carbonic anhydrase 2 | Ki | = | 18100.0 | nM | 4.74 | Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for ... | 19375309 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
| 34875836 | 10.1021/acs.jmedchem.1c01691 | Arginase-2, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine