Compound Detail
CHEMBL300143
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Basic Information
| ChEMBL ID | CHEMBL300143 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGAGHIIOCADQOV-QWAKEFERSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
3.98
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 8.0 | 7.9933 | 10.0 | 3 |
| Cholinesterase CHEMBL1914 | IC50 | 5.71 | 5.71 | 1950.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 10.0 | nM | 8.0 | Inhibitory concentration against human erythrocyte Acetylcholinesterase | 15715468 |
| Acetylcholinesterase | IC50 | = | 10.3 | nM | 7.99 | Ability to inhibit acetylcholinesterase (AChE), freshly prepared from human eryt... | 10346939 |
| Acetylcholinesterase | IC50 | = | 10.3 | nM | 7.99 | Inhibition of human whole RBC AChE pretreated for 30 mins by Ellman technique | 20627738 |
| Cholinesterase | IC50 | = | 1950.0 | nM | 5.71 | Ability to inhibit butyrylcholinesterase (BChE), freshly prepared from human pla... | 10346939 |
| Cholinesterase | IC50 | = | 1950.0 | nM | 5.71 | Inhibitory concentration against human plasma Butyrylcholinesterase | 15715468 |
| Cholinesterase | IC50 | = | 1950.0 | nM | 5.71 | Inhibition of human plasma BChE pretreated for 30 mins by Ellman technique | 20627738 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10346939 | 10.1021/jm980459s | Acetylcholinesterase | 1 |
| 10346939 | 10.1021/jm980459s | Cholinesterase | 1 |
| 10346939 | 10.1021/jm980459s | Cholinesterases; ACHE & BCHE | 1 |
| 15715468 | 10.1021/jm049309+ | Acetylcholinesterase | 1 |
| 15715468 | 10.1021/jm049309+ | Cholinesterase | 1 |
| 20627738 | 10.1016/j.bmc.2010.05.022 | Acetylcholinesterase | 1 |
| 20627738 | 10.1016/j.bmc.2010.05.022 | Cholinesterase | 1 |
| 20627738 | 10.1016/j.bmc.2010.05.022 | Cholinesterases; ACHE & BCHE | 1 |
Data from ChEMBL 36 via Core Engine