Compound Detail
CHEMBL74352
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCCC)CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL74352 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNAJWFJEAUHFJC-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
526.7
MW (Da)
5.26
ALogP
6
HBA
0
HBD
76.2
PSA (Ų)
0.47
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 9.23 | 9.23 | 0.6 | 2 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 7.39 | 7.39 | 40.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Ki | = | 0.59 | nM | 9.23 | Binding affinity against Muscarinic acetylcholine receptor M2 stably expressed i... | 11055330 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 0.5902 | nM | 9.23 | Binding affinity to muscarinic M2 receptor | 17289384 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 40.74 | nM | 7.39 | Binding affinity to muscarinic M1 receptor | 17289384 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11055330 | 10.1016/s0960-894x(00)00457-1 | Muscarinic acetylcholine receptor M2 | 1 |
| 11055330 | 10.1016/s0960-894x(00)00457-1 | Muscarinic acetylcholine receptors; M1 & M2 | 1 |
| 11055330 | 10.1016/s0960-894x(00)00457-1 | Muscarinic acetylcholine receptors; M2 & M3 | 1 |
| 17289384 | 10.1016/j.bmcl.2007.01.058 | Muscarinic acetylcholine receptor M1 | 1 |
| 17289384 | 10.1016/j.bmcl.2007.01.058 | Muscarinic acetylcholine receptor M2 | 1 |
| 17289384 | 10.1016/j.bmcl.2007.01.058 | Muscarinic acetylcholine receptors; M1 & M2 | 1 |
Data from ChEMBL 36 via Core Engine