Compound Detail
CHEMBL346802
ARECOLON Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL346802 |
| Name | ARECOLON |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHYPCHMNNLGAHN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
153.2
MW (Da)
1.23
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | Ki | 8.24 | 8.24 | 5.8 | 1 |
| Neuronal acetylcholine receptor CHEMBL2094110 | Ki | 8.24 | 8.24 | 5.8 | 1 |
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 5.71 | 5.71 | 1950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor | Ki | = | 5.8 | nM | 8.24 | Binding affinity for Nicotinic acetylcholine receptor site in rat cortex was det... | - |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 5.8 | nM | 8.24 | Binding affinity to alpha4beta2 nAChR | 22793665 |
| Muscarinic acetylcholine receptor | Ki | = | 1950.0 | nM | 5.71 | Binding affinity for muscarinic receptor site in rat hippocampus was determined ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80157-8 | Neuronal acetylcholine receptor | 1 |
| - | 10.1016/S0960-894X(01)80157-8 | Muscarinic acetylcholine receptor | 1 |
| - | 10.1016/S0960-894X(01)80157-8 | Unchecked | 1 |
| 22793665 | 10.1021/jm3006542 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
Data from ChEMBL 36 via Core Engine