Compound Detail
CHEMBL3623548
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Basic Information
| ChEMBL ID | CHEMBL3623548 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAVDJDQEDRNTQR-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
206.2
MW (Da)
2.21
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 7.11 | 7.015 | 77.5 | 2 |
| Acetylcholinesterase CHEMBL2046266 | IC50 | 6.85 | 6.695 | 142.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 77.5 | nM | 7.11 | Inhibition of recombinant human AChE after 10 mins by Ellman assay | 26386602 |
| Acetylcholinesterase | IC50 | = | 121.0 | nM | 6.92 | Inhibition of recombinant human AChE after 60 mins by Ellman assay | 26386602 |
| Acetylcholinesterase | IC50 | = | 142.0 | nM | 6.85 | Inhibition of recombinant Anopheles gambiae wild type AChE after 10 mins by Ellm... | 26386602 |
| Acetylcholinesterase | IC50 | = | 285.0 | nM | 6.54 | Inhibition of recombinant Anopheles gambiae wild type AChE after 60 mins by Ellm... | 26386602 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26386602 | 10.1016/j.bmcl.2015.09.019 | Acetylcholinesterase | 6 |
| 26386602 | 10.1016/j.bmcl.2015.09.019 | Unchecked | 2 |
| 26386602 | 10.1016/j.bmcl.2015.09.019 | Anopheles gambiae | 1 |
Data from ChEMBL 36 via Core Engine