Compound Detail
CHEMBL109870
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Basic Information
| ChEMBL ID | CHEMBL109870 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPLWNEHDSYQUBC-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
264.4
MW (Da)
4.12
ALogP
2
HBA
1
HBD
38.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4768 | IC50 | 7.91 | 7.91 | 12.4 | 2 |
| Cholinesterase CHEMBL1914 | IC50 | 6.35 | 6.35 | 449.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 12.4 | nM | 7.91 | Inhibition of acetylcholinesterase (AChE)activity in bovine erythrocytes | 10464010 |
| Acetylcholinesterase | IC50 | = | 12.4 | nM | 7.91 | Compound was evaluated for the inhibition of acetylcholinesterase of bovine eryt... | 11101357 |
| Cholinesterase | IC50 | = | 449.0 | nM | 6.35 | Inhibition of butyrylcholinesterase (BChE) activity in human serum | 10464010 |
| Cholinesterase | IC50 | = | 449.0 | nM | 6.35 | Inhibition of butyrylcholinesterase (BChE) in human serum | 11101357 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11101357 | 10.1021/jm000980y | Acetylcholinesterase | 4 |
| 10464010 | 10.1021/jm980620z | Acetylcholinesterase | 1 |
| 10464010 | 10.1021/jm980620z | Cholinesterase | 1 |
| 10464010 | 10.1021/jm980620z | NON-PROTEIN TARGET | 1 |
| 10464010 | 10.1021/jm980620z | Unchecked | 1 |
| 11101357 | 10.1021/jm000980y | Cholinesterase | 1 |
| 11101357 | 10.1021/jm000980y | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine