Compound Detail
CHEMBL326990
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CNc1ccccc1C(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)OCCO3)CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL326990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXEUWKFFSRINDE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
619.8
MW (Da)
4.79
ALogP
8
HBA
1
HBD
97.4
PSA (Ų)
0.38
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Ki | 9.05 | 9.05 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Ki | = | 0.9 | nM | 9.05 | Binding affinity towards Muscarinic acetylcholine receptor M2 | 12419388 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12419388 | 10.1016/s0960-894x(02)00742-4 | Muscarinic acetylcholine receptor M2 | 1 |
| 12419388 | 10.1016/s0960-894x(02)00742-4 | Muscarinic receptor M1 and M2 | 1 |
| 12419388 | 10.1016/s0960-894x(02)00742-4 | Muscarinic receptor M2 and M3 | 1 |
| 12419388 | 10.1016/s0960-894x(02)00742-4 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine