Compound Detail
CHEMBL264676
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Basic Information
| ChEMBL ID | CHEMBL264676 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XELSLLUJXUXNOB-JWQCQUIFSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
381.6
MW (Da)
4.35
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.2
Ki 2 meas. best 9.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 9.5 | 9.5 | 0.3 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 8.5 | 8.5 | 3.2 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | Kd | 8.2 | 8.2 | 6.3 | 1 |
| Unchecked CHEMBL612545 | Kd | 7.5 | 7.5 | 31.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | Ki | = | 0.3162 | nM | 9.5 | Displacement of [3H]N-methylscopolamine from human recombinant muscarinic M3 rec... | 18359633 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 3.162 | nM | 8.5 | Displacement of [3H]N-methylscopolamine from human recombinant muscarinic M2 rec... | 18359633 |
| Muscarinic acetylcholine receptor M3 | Kd | = | 6.31 | nM | 8.2 | Antagonist activity at muscarinic M3 receptor in carbachol-stimulated guinea pig... | 18359633 |
| Unchecked | Kd | = | 31.62 | nM | 7.5 | Antagonist activity at muscarinic M2 receptor in carbachol-stimulated guinea pig... | 18359633 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18359633 | 10.1016/j.bmcl.2008.03.024 | Muscarinic acetylcholine receptor M3 | 3 |
| 18359633 | 10.1016/j.bmcl.2008.03.024 | Muscarinic acetylcholine receptor M2 | 1 |
| 18359633 | 10.1016/j.bmcl.2008.03.024 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine