Compound Detail
CHEMBL312085
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Basic Information
| ChEMBL ID | CHEMBL312085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHPBDFAJJFWJJX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
412.6
MW (Da)
4.53
ALogP
4
HBA
0
HBD
40.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 9.7 | 9.7 | 0.2 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 8.89 | 8.89 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Ki | = | 0.2 | nM | 9.7 | Binding affinity towards the cloned human Muscarinic acetylcholine receptor M2 | 11055332 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 1.3 | nM | 8.89 | Binding affinity towards the cloned human Muscarinic acetylcholine receptor M1 | 11055332 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11055332 | 10.1016/s0960-894x(00)00438-8 | Muscarinic acetylcholine receptor M1 | 1 |
| 11055332 | 10.1016/s0960-894x(00)00438-8 | Muscarinic acetylcholine receptor M2 | 1 |
| 11055332 | 10.1016/s0960-894x(00)00438-8 | Muscarinic acetylcholine receptors; M1 & M2 | 1 |
Data from ChEMBL 36 via Core Engine