Compound Detail
CHEMBL150624
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CC(=C1CCN(C2CCN(C(=O)c3ccc(F)c4ccccc34)CC2)CC1)c1ccc([S+]([O-])C(C)C)cc1
Basic Information
| ChEMBL ID | CHEMBL150624 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BERXHPPZKOVMEH-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
532.7
MW (Da)
6.67
ALogP
3
HBA
0
HBD
46.6
PSA (Ų)
0.34
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 8.89 | 8.6933 | 1.3 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Ki | = | 1.3 | nM | 8.89 | Binding affinity for human Muscarinic acetylcholine receptor M2 | 12459007 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 2.4 | nM | 8.62 | Binding affinity for human Muscarinic acetylcholine receptor M2 | 12459007 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 2.7 | nM | 8.57 | Binding affinity for human Muscarinic acetylcholine receptor M2 | 12459007 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12459007 | 10.1021/jm0255163 | Muscarinic acetylcholine receptor M2 | 3 |
| 12459007 | 10.1021/jm0255163 | No relevant target | 3 |
| 12459007 | 10.1021/jm0255163 | Muscarinic acetylcholine receptors; M1 & M2 | 3 |
| 12459007 | 10.1021/jm0255163 | Rattus norvegicus | 2 |
| 12459007 | 10.1021/jm0255163 | Muscarinic acetylcholine receptors; M2 & M3 | 2 |
| 12459007 | 10.1021/jm0255163 | Muscarinic acetylcholine receptor M2 and M4 | 2 |
| 12459007 | 10.1021/jm0255163 | Muscarinic acetylcholine receptor M2 and M5 | 2 |
| 12459007 | 10.1021/jm0255163 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine