Compound Detail
CHEMBL376514
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Basic Information
| ChEMBL ID | CHEMBL376514 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCEWCMMSOWEHFC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
326.5
MW (Da)
4.55
ALogP
3
HBA
0
HBD
23.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 5.47 | 5.47 | 3370.0 | 1 |
| Acetylcholinesterase CHEMBL4780 | IC50 | 4.46 | 4.46 | 34700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 3370.0 | nM | 5.47 | Inhibition of human plasma BChE | 17149883 |
| Acetylcholinesterase | IC50 | = | 34700.0 | nM | 4.46 | Inhibition of Torpedo californica AChE | 17149883 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17149883 | 10.1021/jm060742o | Acetylcholinesterase | 3 |
| 17149883 | 10.1021/jm060742o | Cholinesterase | 1 |
| 17149883 | 10.1021/jm060742o | Cholinesterases; ACHE & BCHE | 1 |
Data from ChEMBL 36 via Core Engine