Compound Detail
CHEMBL21427
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Basic Information
| ChEMBL ID | CHEMBL21427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOAAEKKFGLPLLU-UHFFFAOYSA-N |
7
Targets
13
Activities
2
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
152.0
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 10 meas. best 5.23
IC50 3 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Autotaxin CHEMBL3691 | IC50 | 5.3 | 5.3 | 5011.9 | 1 |
| Beta-lactamase CHEMBL2026 | Ki | 5.23 | 5.23 | 5900.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 5.1 | 5.1 | 7900.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 4.96 | 4.96 | 10900.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.94 | 4.94 | 11400.0 | 1 |
| Carbonic anhydrase CHEMBL5337 | Ki | 4.81 | 4.81 | 15600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of Wistar rat brain FAAH assessed as [3H]arachidonoylethanolamide hyd... | 18983140 |
| Autotaxin | IC50 | = | 5011.87 | nM | 5.3 | Inhibition of full length human C-terminal 6-His-tagged ATXbeta using FS-3 as su... | 28564542 |
| Beta-lactamase | Ki | = | 5900.0 | nM | 5.23 | Inhibitory activity against Escherichia coli AmpC beta-lactamase. | 9804697 |
| Carbonic anhydrase 2 | Ki | = | 7900.0 | nM | 5.1 | Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for ... | 19375309 |
| Carbonic anhydrase 1 | Ki | = | 10900.0 | nM | 4.96 | Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for ... | 19375309 |
| Unchecked | Ki | = | 11400.0 | nM | 4.94 | Inhibition of Cryptococcus neoformans recombinant Carbonic anhydrase 2 pre-incub... | 19375309 |
| Carbonic anhydrase | Ki | = | 15600.0 | nM | 4.81 | Inhibition of Candida albicans recombinant Carbonic anhydrase pre-incubated for ... | 19375309 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00466-0 | Subtilisin BL | 3 |
| 20594849 | 10.1016/j.bmcl.2010.06.039 | Unchecked | 2 |
| - | 10.1016/S0960-894X(01)80336-X | Beta-lactamase TEM | 1 |
| - | 10.1016/0960-894X(96)00466-0 | Subtilisin Carlsberg | 1 |
| 9804697 | 10.1021/jm980343w | Beta-lactamase | 1 |
| 18983140 | 10.1021/jm801051t | Fatty-acid amide hydrolase 1 | 1 |
| 18983140 | 10.1021/jm801051t | Monoglyceride lipase | 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 |
| 24499135 | 10.1021/jm401808n | Quinolone resistance protein NorA | 1 |
| 24499135 | 10.1021/jm401808n | Staphylococcus aureus | 1 |
| 28564542 | 10.1021/acs.jmedchem.6b01224 | Autotaxin | 1 |
| 35440138 | 10.1021/acs.jmedchem.2c00368 | Autotaxin | 1 |
Data from ChEMBL 36 via Core Engine