Compound Detail
CHEMBL1617348
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Basic Information
| ChEMBL ID | CHEMBL1617348 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPHSWMLTZQGJIC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
213.3
MW (Da)
2.12
ALogP
3
HBA
1
HBD
42.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 5.94 | 5.94 | 1150.0 | 1 |
| Cholinesterase CHEMBL5763 | IC50 | 4.8 | 4.8 | 15940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 1150.0 | nM | 5.94 | Inhibition of Electrophorus electricus AChE pre-incubated for 5 mins before acet... | 26212777 |
| Cholinesterase | IC50 | = | 15940.0 | nM | 4.8 | Inhibition of equine serum BChE pre-incubated for 5 mins before butyrylthiocholi... | 26212777 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26212777 | 10.1016/j.bmcl.2015.07.026 | Cholinesterase | 2 |
| 26212777 | 10.1016/j.bmcl.2015.07.026 | Acetylcholinesterase | 2 |
Data from ChEMBL 36 via Core Engine