Compound Detail
CHEMBL200957
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Basic Information
| ChEMBL ID | CHEMBL200957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTAUYQIIHXMBJZ-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
2.79
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.5
Ki 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Kd | 8.5 | 8.5 | 3.2 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | Kd | 8.0 | 8.0 | 10.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | Ki | = | 1.0 | nM | 9.0 | Binding affinity to human muscarinic M3 receptor | 16275087 |
| Muscarinic acetylcholine receptor M2 | Kd | = | 3.162 | nM | 8.5 | Antagonism at muscarinic M2 receptor in isolated guinea pig urinary bladder | 16275087 |
| Muscarinic acetylcholine receptor M3 | Kd | = | 10.0 | nM | 8.0 | Antagonism in muscarinic M3 receptor in guinea pig left atria | 16275087 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 13.0 | nM | 7.89 | Binding affinity to human muscarinic M2 receptor | 16275087 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16275087 | 10.1016/j.bmcl.2005.09.079 | Muscarinic acetylcholine receptor M3 | 2 |
| 16275087 | 10.1016/j.bmcl.2005.09.079 | Muscarinic acetylcholine receptor M2 | 2 |
Data from ChEMBL 36 via Core Engine