Compound Detail
CHEMBL3623566
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Basic Information
| ChEMBL ID | CHEMBL3623566 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUCANLAVDXMGCM-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
196.2
MW (Da)
2.15
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 5.88 | 5.74 | 1310.0 | 2 |
| Acetylcholinesterase CHEMBL2046266 | IC50 | 5.81 | 5.52 | 1540.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 1310.0 | nM | 5.88 | Inhibition of recombinant human AChE after 60 mins by Ellman assay | 26386602 |
| Acetylcholinesterase | IC50 | = | 1540.0 | nM | 5.81 | Inhibition of recombinant Anopheles gambiae wild type AChE after 60 mins by Ellm... | 26386602 |
| Acetylcholinesterase | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of recombinant human AChE after 10 mins by Ellman assay | 26386602 |
| Acetylcholinesterase | IC50 | = | 5860.0 | nM | 5.23 | Inhibition of recombinant Anopheles gambiae wild type AChE after 10 mins by Ellm... | 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