Compound Detail
CHEMBL150845
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CC(=C1CCN(C2CCN(C(=O)c3ccc(F)c4ccccc34)CC2)CC1)c1ccc(S(=O)(=O)C(C)C)cc1
Basic Information
| ChEMBL ID | CHEMBL150845 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QNNRMNKNQDMQJI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
548.7
MW (Da)
6.34
ALogP
4
HBA
0
HBD
57.7
PSA (Ų)
0.37
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 8.02 | 8.02 | 9.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Ki | = | 9.6 | nM | 8.02 | Binding affinity for human Muscarinic acetylcholine receptor M2 | 12459007 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12459007 | 10.1021/jm0255163 | Muscarinic acetylcholine receptor M2 | 1 |
| 12459007 | 10.1021/jm0255163 | No relevant target | 1 |
| 12459007 | 10.1021/jm0255163 | Homo sapiens | 1 |
| 12459007 | 10.1021/jm0255163 | Muscarinic acetylcholine receptors; M1 & M2 | 1 |
Data from ChEMBL 36 via Core Engine