Compound Detail
CHEMBL293720
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Basic Information
| ChEMBL ID | CHEMBL293720 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNHHOLFSTKWHNP-ACEFPKFPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
455.6
MW (Da)
6.36
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 7.07 | 7.07 | 85.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 85.0 | nM | 7.07 | Ability to inhibit butyrylcholinesterase (BChE), freshly prepared from human pla... | 10346939 |
| Acetylcholinesterase | IC50 | = | 13000.0 | nM | 4.89 | Ability to inhibit acetylcholinesterase (AChE), freshly prepared from human eryt... | 10346939 |
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 |
| 20684567 | 10.1021/jm100573q | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine