Compound Detail
CHEMBL20852
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Basic Information
| ChEMBL ID | CHEMBL20852 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMZFEHDNIAQMNB-UHFFFAOYSA-N |
5
Targets
15
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
136.9
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 14 meas. best 5.15
IC50 1 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.15 | 5.145 | 7100.0 | 2 |
| Beta-lactamase CHEMBL2026 | Ki | 5.14 | 5.14 | 7300.0 | 2 |
| Autotaxin CHEMBL3691 | IC50 | 4.9 | 4.9 | 12589.2 | 1 |
| Subtilisin BL CHEMBL4258 | Ki | 4.14 | 4.14 | 73000.0 | 1 |
| Subtilisin Carlsberg CHEMBL4299 | Ki | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 7100.0 | nM | 5.15 | Inhibition of bacterial AmpC | 29784271 |
| Beta-lactamase | Ki | = | 7300.0 | nM | 5.14 | Inhibitory activity against Escherichia coli AmpC beta-lactamase. | 9804697 |
| Beta-lactamase | Ki | = | 7300.0 | nM | 5.14 | Apparent inhibition constant against Escherichia coli AmpC beta-lactamase | 15225711 |
| Unchecked | Ki | = | 7300.0 | nM | 5.14 | Inhibition of AmpC beta lactamase by spectrophotometry | 20452208 |
| Autotaxin | IC50 | = | 12589.25 | nM | 4.9 | Inhibition of full length human C-terminal 6-His-tagged ATXbeta using FS-3 as su... | 28564542 |
| Subtilisin BL | Ki | = | 73000.0 | nM | 4.14 | Competitive inhibition of Subtilisin BL M222S-mutated enzyme from Bacillus lentu... | - |
| Subtilisin Carlsberg | Ki | = | 75000.0 | nM | 4.12 | Competitive inhibition of Subtilisin Carlsberg enzyme from Bacillus lentus | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00467-2 | Unchecked | 5 |
| - | 10.1016/0960-894X(96)00466-0 | Subtilisin BL | 3 |
| 19731939 | 10.1021/jm9009718 | Penicillin-binding protein 2x | 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 |
| 15225711 | 10.1016/j.bmcl.2004.05.054 | Beta-lactamase | 1 |
| 19731939 | 10.1021/jm9009718 | D-alanyl-D-alanine carboxypeptidase | 1 |
| 20452208 | 10.1016/j.bmcl.2010.04.007 | Unchecked | 1 |
| 28564542 | 10.1021/acs.jmedchem.6b01224 | Autotaxin | 1 |
| 29784271 | 10.1016/j.bmc.2018.04.055 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine