Compound Detail
CHEMBL4467345
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Basic Information
| ChEMBL ID | CHEMBL4467345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCRWQZGNXKNJAT-VWLOTQADSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
3.47
ALogP
6
HBA
2
HBD
89.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 6.01 | 6.01 | 970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 970.0 | nM | 6.01 | Inhibition of recombinant human BuChE using butyrylthiocholine iodide as substra... | 30765302 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30765302 | 10.1016/j.bmc.2018.12.030 | SH-SY5Y | 3 |
| 30765302 | 10.1016/j.bmc.2018.12.030 | Acetylcholinesterase | 1 |
| 30765302 | 10.1016/j.bmc.2018.12.030 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine