Compound Detail
CHEMBL3298597
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Basic Information
| ChEMBL ID | CHEMBL3298597 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQDXKSHAKSYRJH-YAMMMNJUSA-N |
| Parent Compound | CHEMBL3307126 |
| Active Moiety | CHEMBL3307126 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
344.5
MW (Da)
3.60
ALogP
4
HBA
1
HBD
51.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 9.43 | 9.43 | 0.4 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL320 | Ki | 9.43 | 9.43 | 0.4 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Ki | 8.92 | 8.92 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 0.37 | nM | 9.43 | Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in corte... | 24837158 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 0.37 | nM | 9.43 | Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in subma... | 24837158 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 1.2 | nM | 8.92 | Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heart | 24837158 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24837158 | 10.1016/j.bmc.2014.04.031 | Rattus norvegicus | 4 |
| 24837158 | 10.1016/j.bmc.2014.04.031 | Muscarinic acetylcholine receptor M1 | 1 |
| 24837158 | 10.1016/j.bmc.2014.04.031 | Muscarinic acetylcholine receptor M2 | 1 |
| 24837158 | 10.1016/j.bmc.2014.04.031 | Muscarinic acetylcholine receptor M3 | 1 |
Data from ChEMBL 36 via Core Engine