Compound Detail
CHEMBL240763
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Basic Information
| ChEMBL ID | CHEMBL240763 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJYZNUFVJROSCC-NTEIDFPQSA-N |
| Parent Compound | CHEMBL1182501 |
| Active Moiety | CHEMBL1182501 |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
275.3
MW (Da)
1.15
ALogP
6
HBA
0
HBD
60.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.99
Kd 2 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | EC50 | 5.99 | 5.99 | 1023.3 | 1 |
| Unchecked CHEMBL612545 | Kd | 5.97 | 5.97 | 1071.5 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.51 | 5.51 | 3090.3 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | Kd | 5.44 | 5.44 | 3630.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | EC50 | = | 1023.29 | nM | 5.99 | Agonist activity at muscarinic M3 receptor in guinea-pig ileum | 17889543 |
| Unchecked | Kd | = | 1071.52 | nM | 5.97 | Binding affinity to muscarinic M2 receptor in electrically stimulated guinea-pig... | 17889543 |
| Unchecked | EC50 | = | 3090.3 | nM | 5.51 | Agonist activity at muscarinic M2 receptor in electrically stimulated guinea-pig... | 17889543 |
| Muscarinic acetylcholine receptor M3 | Kd | = | 3630.78 | nM | 5.44 | 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 | 5 |
| 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