Compound Detail
CHEMBL3623563
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Basic Information
| ChEMBL ID | CHEMBL3623563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKFBTCMZCVVDQG-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
184.2
MW (Da)
2.01
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL2046266 | IC50 | 5.56 | 5.55 | 2750.0 | 2 |
| Acetylcholinesterase CHEMBL220 | IC50 | 4.77 | 4.76 | 16900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 2750.0 | nM | 5.56 | Inhibition of recombinant Anopheles gambiae wild type AChE after 10 mins by Ellm... | 26386602 |
| Acetylcholinesterase | IC50 | = | 2860.0 | nM | 5.54 | Inhibition of recombinant Anopheles gambiae wild type AChE after 60 mins by Ellm... | 26386602 |
| Acetylcholinesterase | IC50 | = | 16900.0 | nM | 4.77 | Inhibition of recombinant human AChE after 10 mins by Ellman assay | 26386602 |
| Acetylcholinesterase | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of recombinant human AChE after 60 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