Compound Detail
CHEMBL336239
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 | CHEMBL336239 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOAORAPRPVIATR-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
189.9
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.1
Ki 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Beta-lactamase CHEMBL2026 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
| Beta-lactamase CHEMBL2026 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Monoglyceride lipase CHEMBL4191 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of Wistar rat brain FAAH assessed as [3H]arachidonoylethanolamide hyd... | 18983140 |
| Beta-lactamase | Ki | = | 1100.0 | nM | 5.96 | Inhibitory activity against Escherichia coli AmpC beta-lactamase. | 9804697 |
| Beta-lactamase | IC50 | = | 5000.0 | nM | 5.3 | Compound was tested for its specificity against AmpC beta-lactamase | 9804697 |
| Monoglyceride lipase | IC50 | = | 38000.0 | nM | 4.42 | Inhibition of human recombinant MGL | 18983140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9804697 | 10.1021/jm980343w | Beta-lactamase | 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 |
| 18983140 | 10.1021/jm801051t | Monoglyceride lipase | 1 |
Data from ChEMBL 36 via Core Engine