Compound Detail
CHEMBL288482
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Basic Information
| ChEMBL ID | CHEMBL288482 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSSHBIZVZFEFDX-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
3.64
ALogP
6
HBA
1
HBD
79.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.1
Kd 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | Ki | 6.1 | 6.1 | 800.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Ki | 5.62 | 5.62 | 2400.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Kd | 5.5 | 5.5 | 3162.3 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL2672 | Ki | 5.47 | 5.47 | 3400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | Ki | = | 800.0 | nM | 6.1 | Inhibition of anticholinesterase activity by their ability to inactivate human s... | 2738887 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 2400.0 | nM | 5.62 | Inhibition of carbachol-induced release of alpha-amylase from pancreatic acinar ... | 2738887 |
| Muscarinic acetylcholine receptor M2 | Kd | = | 3162.28 | nM | 5.5 | Antimuscarinic activity on the acetylcholine-induced inhibition of contraction o... | 2738887 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 3400.0 | nM | 5.47 | Inhibition of [3H]NMS binding to cerebral cortex membranes which contain predomi... | 2738887 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2738887 | 10.1021/jm00127a020 | Muscarinic acetylcholine receptor M2 | 3 |
| 2738887 | 10.1021/jm00127a020 | Cholinesterase | 2 |
| 2738887 | 10.1021/jm00127a020 | Muscarinic acetylcholine receptor M1 | 1 |
Data from ChEMBL 36 via Core Engine