Compound Detail
CHEMBL192061
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Basic Information
| ChEMBL ID | CHEMBL192061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKYRHFCTPDJDMB-MLFFRYNPSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
321.5
MW (Da)
4.56
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL320 | Ki | 7.6 | 7.35 | 25.0 | 2 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Ki | 7.47 | 7.425 | 34.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | Ki | = | 25.0 | nM | 7.6 | Affinity for rat Muscarinic acetylcholine receptor M3 | 15808475 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 34.0 | nM | 7.47 | Affinity for rat Muscarinic acetylcholine receptor M2 | 15808475 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 42.0 | nM | 7.38 | Affinity for rat Muscarinic acetylcholine receptor M2 | 15808475 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 79.0 | nM | 7.1 | Affinity for rat Muscarinic acetylcholine receptor M3 | 15808475 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15808475 | 10.1016/j.bmcl.2005.02.036 | Muscarinic acetylcholine receptor M3 | 2 |
| 15808475 | 10.1016/j.bmcl.2005.02.036 | Muscarinic acetylcholine receptor M2 | 2 |
Data from ChEMBL 36 via Core Engine