Compound Detail
CHEMBL3623564
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Basic Information
| ChEMBL ID | CHEMBL3623564 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKQNVTASUWRGSK-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
198.2
MW (Da)
2.40
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL2046266 | IC50 | 5.48 | 5.465 | 3290.0 | 2 |
| Acetylcholinesterase CHEMBL220 | IC50 | 4.75 | 4.685 | 17600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 3290.0 | nM | 5.48 | Inhibition of recombinant Anopheles gambiae wild type AChE after 60 mins by Ellm... | 26386602 |
| Acetylcholinesterase | IC50 | = | 3520.0 | nM | 5.45 | Inhibition of recombinant Anopheles gambiae wild type AChE after 10 mins by Ellm... | 26386602 |
| Acetylcholinesterase | IC50 | = | 17600.0 | nM | 4.75 | Inhibition of recombinant human AChE after 60 mins by Ellman assay | 26386602 |
| Acetylcholinesterase | IC50 | = | 24200.0 | nM | 4.62 | Inhibition of recombinant human AChE after 10 mins by Ellman assay | 26386602 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26386602 | 10.1016/j.bmcl.2015.09.019 | Acetylcholinesterase | 4 |
| 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