Compound Detail
CHEMBL2337261
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Basic Information
| ChEMBL ID | CHEMBL2337261 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPIWBAQUZNZAAJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
3.29
ALogP
6
HBA
2
HBD
75.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 5.66 | 5.66 | 2180.0 | 1 |
| Cholinesterase CHEMBL5763 | IC50 | 4.02 | 4.02 | 96340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 2180.0 | nM | 5.66 | Inhibition of electric eel AChE using acetylcholine iodide as substrate after 10... | 23376249 |
| Cholinesterase | IC50 | = | 96340.0 | nM | 4.02 | Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate aft... | 23376249 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23376249 | 10.1016/j.ejmech.2012.12.060 | Unchecked | 1 |
| 23376249 | 10.1016/j.ejmech.2012.12.060 | Cholinesterase | 1 |
| 23376249 | 10.1016/j.ejmech.2012.12.060 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine