Compound Detail
CHEMBL420008
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
Basic Information
| ChEMBL ID | CHEMBL420008 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOZKVVSXDCLNPX-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
440.6
MW (Da)
4.01
ALogP
5
HBA
1
HBD
58.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 8.94 | 8.94 | 1.1 | 2 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 8.47 | 8.47 | 3.4 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 8.04 | 8.04 | 9.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Ki | = | 1.14 | nM | 8.94 | Binding affinity against Muscarinic acetylcholine receptor M2 stably expressed i... | 11055330 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 1.14 | nM | 8.94 | Binding affinity to muscarinic M2 receptor | 17289384 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 3.4 | nM | 8.47 | Binding affinity against Muscarinic acetylcholine receptor M3 expressed in CHO-K... | 11055330 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 9.1 | nM | 8.04 | Binding affinity against Muscarinic acetylcholine receptor M1 expressed in CHO-K... | 11055330 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 9.099 | nM | 8.04 | 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 receptor M1 | 1 |
| 11055330 | 10.1016/s0960-894x(00)00457-1 | Muscarinic acetylcholine receptor M3 | 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