Compound Detail
CHEMBL300930
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COc1ccccc1CNCCCCCCNCc1ccc(-c2ccc(-c3ccc(CNCCCCCCNCc4ccccc4OC)cc3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL300930 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDTZWUCQANGCAZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
727.0
MW (Da)
9.92
ALogP
6
HBA
4
HBD
66.6
PSA (Ų)
0.04
QED
2
Ro5 Violations
26
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.3 | 6.3 | 501.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 501.19 | nM | 6.3 | Antagonism of carbachol action on nAChR of isolated frog rectus abdominus. | 11960498 |
| Unchecked | IC50 | = | 501.19 | nM | 6.3 | Antagonist activity against Nicotinic acetylcholine receptor (nAChR) of isolated... | 12109912 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11960498 | 10.1021/jm011067f | Unchecked | 1 |
| 11960498 | 10.1021/jm011067f | Acetylcholine receptor | 1 |
| 11960498 | 10.1021/jm011067f | Muscarinic acetylcholine receptor M2 | 1 |
| 11960498 | 10.1021/jm011067f | Muscarinic acetylcholine receptor M3 | 1 |
| 12109912 | 10.1021/jm020835f | Muscarinic acetylcholine receptor M2 | 1 |
| 12109912 | 10.1021/jm020835f | Muscarinic acetylcholine receptor M3 | 1 |
| 12109912 | 10.1021/jm020835f | Unchecked | 1 |
| 12109912 | 10.1021/jm020835f | Acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine