Compound Detail
CHEMBL3236097
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Basic Information
| ChEMBL ID | CHEMBL3236097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKDPVPNGVGXVCE-BQYQJAHWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
365.8
MW (Da)
4.16
ALogP
4
HBA
1
HBD
56.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 5.88 | 5.88 | 1320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 1320.0 | nM | 5.88 | Inhibition of human BChE using butyrylthiocholine iodide as substrate preincubat... | 24675179 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24675179 | 10.1016/j.ejmech.2014.03.015 | Acetylcholinesterase | 1 |
| 24675179 | 10.1016/j.ejmech.2014.03.015 | Cholinesterase | 1 |
| 24675179 | 10.1016/j.ejmech.2014.03.015 | NCI-H157 | 1 |
Data from ChEMBL 36 via Core Engine