Compound Detail
CHEMBL1766139
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Basic Information
| ChEMBL ID | CHEMBL1766139 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQATZRMIXKASMD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
2.62
ALogP
5
HBA
1
HBD
44.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 4.82 | 4.82 | 15300.0 | 1 |
| Butyrylcholinesterase CHEMBL5077 | IC50 | 4.22 | 4.22 | 59900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 15300.0 | nM | 4.82 | Inhibition of human AChE incubated with compounf for 5 mins before addition of s... | 21429752 |
| Butyrylcholinesterase | IC50 | = | 59900.0 | nM | 4.22 | Inhibition of equine BChE incubated with compounf for 5 mins before addition of ... | 21429752 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21429752 | 10.1016/j.bmc.2011.02.030 | Unchecked | 1 |
| 21429752 | 10.1016/j.bmc.2011.02.030 | Butyrylcholinesterase | 1 |
| 21429752 | 10.1016/j.bmc.2011.02.030 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine