Compound Detail
CHEMBL3137700
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Basic Information
| ChEMBL ID | CHEMBL3137700 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAPOASFZXBWUGS-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
246.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 7.03 | 6.785 | 92.9 | 2 |
| Acetylcholinesterase CHEMBL2046266 | IC50 | 6.59 | 6.33 | 257.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.0 | 5.0 | 10100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 92.9 | nM | 7.03 | Inhibition of recombinant human AChE after 60 mins by Ellman assay | 26386602 |
| Acetylcholinesterase | IC50 | = | 257.0 | nM | 6.59 | Inhibition of recombinant Anopheles gambiae wild type AChE after 60 mins by Ellm... | 26386602 |
| Acetylcholinesterase | IC50 | = | 285.0 | nM | 6.54 | Inhibition of recombinant human AChE after 10 mins by Ellman assay | 26386602 |
| Acetylcholinesterase | IC50 | = | 848.0 | nM | 6.07 | Inhibition of recombinant Anopheles gambiae wild type AChE after 10 mins by Ellm... | 26386602 |
| Unchecked | IC50 | = | 10100.0 | nM | 5.0 | Inhibition of recombinant Anopheles gambiae AChE G119S mutant after 60 mins by E... | 26386602 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15646539 | 10.1016/s0399-8320(04)95062-2 | Unchecked | 11 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | NON-PROTEIN TARGET | 8 |
| 26386602 | 10.1016/j.bmcl.2015.09.019 | Acetylcholinesterase | 6 |
| 26386602 | 10.1016/j.bmcl.2015.09.019 | Unchecked | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 26386602 | 10.1016/j.bmcl.2015.09.019 | Anopheles gambiae | 1 |
Data from ChEMBL 36 via Core Engine