Compound Detail
CHEMBL2022929
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2022929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNQHORSBFVUWPZ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
1.81
ALogP
3
HBA
1
HBD
42.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Butyrylcholinesterase CHEMBL5077 | IC50 | 5.18 | 5.18 | 6600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of electric eel AChE using acetylthiocholine iodide as substrate afte... | 22503231 |
| Butyrylcholinesterase | IC50 | = | 6600.0 | nM | 5.18 | Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate aft... | 22503231 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22503231 | 10.1016/j.ejmech.2012.03.022 | Unchecked | 2 |
| 22503231 | 10.1016/j.ejmech.2012.03.022 | Acetylcholinesterase | 1 |
| 22503231 | 10.1016/j.ejmech.2012.03.022 | Butyrylcholinesterase | 1 |
| 22503231 | 10.1016/j.ejmech.2012.03.022 | Amine oxidase [flavin-containing] A | 1 |
| 22503231 | 10.1016/j.ejmech.2012.03.022 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine