Compound Detail
CHEMBL397083
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Basic Information
| ChEMBL ID | CHEMBL397083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUASWYGQBYYHFE-WLHGVMLRSA-N |
| Parent Compound | CHEMBL1185192 |
| Active Moiety | CHEMBL1185192 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
220.3
MW (Da)
1.46
ALogP
4
HBA
0
HBD
38.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.82
Kd 1 meas. best 4.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | EC50 | 4.82 | 4.82 | 15135.6 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | Kd | 4.81 | 4.81 | 15488.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | EC50 | = | 15135.61 | nM | 4.82 | Agonist activity at muscarinic M3 receptor in guinea-pig ileum | 17889543 |
| Muscarinic acetylcholine receptor M3 | Kd | = | 15488.17 | nM | 4.81 | Binding affinity to muscarinic M3 receptor in guinea-pig ileum | 17889543 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17889543 | 10.1016/j.bmc.2007.09.003 | Unchecked | 4 |
| 17889543 | 10.1016/j.bmc.2007.09.003 | Muscarinic acetylcholine receptor M3 | 3 |
| 17889543 | 10.1016/j.bmc.2007.09.003 | Muscarinic acetylcholine receptor M2 | 1 |
| 17889543 | 10.1016/j.bmc.2007.09.003 | Muscarinic acetylcholine receptor M5 | 1 |
Data from ChEMBL 36 via Core Engine