Compound Detail
CHEMBL478226
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Basic Information
| ChEMBL ID | CHEMBL478226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJRZQQXWGYRGCW-WOJBJXKFSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
2.87
ALogP
5
HBA
1
HBD
68.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 7.1
Ki 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 7.1 | 6.8767 | 79.4 | 3 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 5.64 | 5.64 | 2290.9 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 5.18 | 5.18 | 6606.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 79.43 | nM | 7.1 | Antagonist activity at peripheral muscarinic M4 receptor in rabbit vas deferens ... | 18595721 |
| Unchecked | Kd | = | 87.1 | nM | 7.06 | Antagonist activity at peripheral muscarinic M2 receptor in guinea pig left atri... | 18595721 |
| Unchecked | Kd | = | 338.84 | nM | 6.47 | Antagonist activity at peripheral muscarinic M3 receptor in guinea pig longitudi... | 18595721 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 1000.0 | nM | 6.0 | Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M2... | 18595721 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 2290.87 | nM | 5.64 | Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M1... | 18595721 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 6606.93 | nM | 5.18 | Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M4... | 18595721 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18595721 | 10.1016/j.bmc.2008.06.025 | Unchecked | 3 |
| 18595721 | 10.1016/j.bmc.2008.06.025 | Muscarinic acetylcholine receptor M1 | 1 |
| 18595721 | 10.1016/j.bmc.2008.06.025 | Muscarinic acetylcholine receptor M2 | 1 |
| 18595721 | 10.1016/j.bmc.2008.06.025 | Muscarinic acetylcholine receptor M3 | 1 |
| 18595721 | 10.1016/j.bmc.2008.06.025 | Muscarinic acetylcholine receptor M4 | 1 |
Data from ChEMBL 36 via Core Engine