Compound Detail
CHEMBL2396908
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Basic Information
| ChEMBL ID | CHEMBL2396908 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXNZOSDMIJOPCJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
276.3
MW (Da)
2.50
ALogP
4
HBA
3
HBD
79.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 4.14 | 4.14 | 71920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 71920.0 | nM | 4.14 | Inhibition of human BuChE using butyrylthiocholine iodide as substrate incubated... | 23719283 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23719283 | 10.1016/j.bmc.2013.05.001 | HepG2 | 1 |
| 23719283 | 10.1016/j.bmc.2013.05.001 | PC-12 | 1 |
| 23719283 | 10.1016/j.bmc.2013.05.001 | Cholinesterase | 1 |
| 23719283 | 10.1016/j.bmc.2013.05.001 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine