Compound Detail
CHEMBL143399
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL143399 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKRRNTJIHGOMRC-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
161.9
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.66
Ki 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase CHEMBL2026 | Ki | 6.66 | 6.66 | 220.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.66 | 5.755 | 220.0 | 2 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
| Beta-lactamase CHEMBL2026 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Chymotrypsinogen A CHEMBL3314 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Monoglyceride lipase CHEMBL4191 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 220.0 | nM | 6.66 | Inhibition of Escherichia coli beta-lactamase AmpC | - |
| Beta-lactamase | Ki | = | 220.0 | nM | 6.66 | Inhibitory activity against Escherichia coli AmpC beta-lactamase. | 9804697 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 330.0 | nM | 6.48 | Inhibition of Wistar rat brain FAAH assessed as [3H]arachidonoylethanolamide hyd... | 18983140 |
| Beta-lactamase | IC50 | = | 600.0 | nM | 6.22 | Compound was tested for its specificity against AmpC beta-lactamase | 9804697 |
| Chymotrypsinogen A | IC50 | = | 14000.0 | nM | 4.85 | Compound was tested for its specificity against alpha-chymotrypsin | 9804697 |
| Unchecked | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of alpha-chymotrypsin (unknown origin) | - |
| Monoglyceride lipase | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of human recombinant MGL | 18983140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C1MD00011J | Unchecked | 5 |
| 9804697 | 10.1021/jm980343w | Beta-lactamase | 2 |
| 18983140 | 10.1021/jm801051t | Monoglyceride lipase | 2 |
| 11266183 | 10.1016/s0960-894x(01)00056-7 | Prostaglandin E2 receptor EP3 subtype | 1 |
| 9804697 | 10.1021/jm980343w | Chymotrypsinogen A | 1 |
| 9804697 | 10.1021/jm980343w | Trypsin-2 | 1 |
| 9804697 | 10.1021/jm980343w | Homo sapiens | 1 |
| 18983140 | 10.1021/jm801051t | Fatty-acid amide hydrolase 1 | 1 |
| - | 10.1039/C1MD00011J | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine