Compound Detail
CHEMBL478227
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Basic Information
| ChEMBL ID | CHEMBL478227 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJRZQQXWGYRGCW-VQTJNVASSA-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 7.22
Ki 3 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 7.22 | 6.4533 | 60.3 | 3 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 6.19 | 6.19 | 645.6 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 5.84 | 5.84 | 1445.4 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 5.61 | 5.61 | 2454.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 60.26 | nM | 7.22 | Antagonist activity at peripheral muscarinic M4 receptor in rabbit vas deferens ... | 18595721 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 645.65 | nM | 6.19 | Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M2... | 18595721 |
| Unchecked | Kd | = | 741.31 | nM | 6.13 | Antagonist activity at peripheral muscarinic M2 receptor in guinea pig left atri... | 18595721 |
| Unchecked | Kd | = | 977.24 | nM | 6.01 | Antagonist activity at peripheral muscarinic M3 receptor in guinea pig longitudi... | 18595721 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 1445.44 | nM | 5.84 | Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M1... | 18595721 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 2454.71 | nM | 5.61 | 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