Compound Detail
CHEMBL422905
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Basic Information
| ChEMBL ID | CHEMBL422905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIDNTYNTQCPFGA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
3.82
ALogP
5
HBA
0
HBD
59.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Butyrylcholinesterase CHEMBL5077 | Ki | 5.26 | 5.26 | 5530.0 | 1 |
| Muscarinic acetylcholine receptor CHEMBL2094109 | Ki | 5.09 | 5.09 | 8100.0 | 1 |
| Acetylcholinesterase CHEMBL4768 | Ki | 4.34 | 4.34 | 45900.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Butyrylcholinesterase | Ki | = | 5530.01 | nM | 5.26 | Inhibitory activity against Butyrylcholinesterase (BChE) | 11831902 |
| Muscarinic acetylcholine receptor | Ki | = | 8100.01 | nM | 5.09 | Inhibition of [3H]NMS (N-[3H]methylscopolamine) binding to Muscarinic acetylchol... | 11831902 |
| Acetylcholinesterase | Ki | = | 45900.1 | nM | 4.34 | Inhibitory activity against Acetylcholinesterase (AChE) | 11831902 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11831902 | 10.1021/jm010196t | Acetylcholinesterase | 3 |
| 11831902 | 10.1021/jm010196t | Butyrylcholinesterase | 3 |
| 11831902 | 10.1021/jm010196t | Muscarinic acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine