Compound Detail
CHEMBL20461
PHENETHYLBORONIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL20461 |
| Name | PHENETHYLBORONIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPRUMANMDWQMNF-UHFFFAOYSA-N |
6
Targets
17
Activities
2
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
150.0
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 16 meas. best 7.4
IC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chymotrypsinogen A CHEMBL3314 | Ki | 7.4 | 7.4 | 40.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 4.94 | 4.94 | 11400.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 4.75 | 4.75 | 17900.0 | 1 |
| Beta-lactamase TEM CHEMBL2065 | Ki | 4.53 | 4.53 | 29800.0 | 1 |
| Subtilisin BL CHEMBL4258 | Ki | 4.02 | 4.02 | 95000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chymotrypsinogen A | Ki | = | 40.0 | nM | 7.4 | Inhibition constant against Chymotrypsinogen | - |
| Fatty-acid amide hydrolase 1 | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of Wistar rat brain FAAH assessed as [3H]arachidonoylethanolamide hyd... | 18983140 |
| Carbonic anhydrase 1 | Ki | = | 11400.0 | nM | 4.94 | Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for ... | 19375309 |
| Carbonic anhydrase 2 | Ki | = | 17900.0 | nM | 4.75 | Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for ... | 19375309 |
| Beta-lactamase TEM | Ki | = | 29800.0 | nM | 4.53 | Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Es... | - |
| Subtilisin BL | Ki | = | 95000.0 | nM | 4.02 | Competitive inhibition of Subtilisin BL M222S-mutated enzyme from Bacillus lentu... | - |
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 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.1016/S0960-894X(01)80336-X | Beta-lactamase TEM | 1 |
| - | 10.1016/S0960-894X(00)80519-3 | Unchecked | 1 |
| - | 10.1016/S0960-894X(00)80519-3 | Chymotrypsinogen A | 1 |
| - | 10.1016/0960-894X(96)00466-0 | Subtilisin Carlsberg | 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 |
| 19731939 | 10.1021/jm9009718 | D-alanyl-D-alanine carboxypeptidase | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine