Compound Detail
CHEMBL2115126
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Basic Information
| ChEMBL ID | CHEMBL2115126 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXBPYISKBNGZMG-VALFACCDSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
436.6
MW (Da)
5.51
ALogP
4
HBA
0
HBD
59.3
PSA (Ų)
0.56
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 8.15 | 8.15 | 7.1 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 7.35 | 7.35 | 45.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 7.23 | 7.23 | 58.8 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 6.87 | 6.87 | 136.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Ki | = | 7.14 | nM | 8.15 | Binding affinity against Muscarinic acetylcholine receptor M2 | 11012031 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 45.05 | nM | 7.35 | Binding affinity against Muscarinic acetylcholine receptor M4 | 11012031 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 58.8 | nM | 7.23 | Binding affinity against Muscarinic acetylcholine receptor M3 | 11012031 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 136.3 | nM | 6.87 | Binding affinity against Muscarinic acetylcholine receptor M1 | 11012031 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11012031 | 10.1016/s0960-894x(00)00437-6 | Muscarinic acetylcholine receptor M1 | 1 |
| 11012031 | 10.1016/s0960-894x(00)00437-6 | Muscarinic acetylcholine receptor M2 | 1 |
| 11012031 | 10.1016/s0960-894x(00)00437-6 | Muscarinic acetylcholine receptor M3 | 1 |
| 11012031 | 10.1016/s0960-894x(00)00437-6 | Muscarinic acetylcholine receptor M4 | 1 |
| 11012031 | 10.1016/s0960-894x(00)00437-6 | Muscarinic acetylcholine receptor M5 | 1 |
Data from ChEMBL 36 via Core Engine