Compound Detail
CHEMBL424214
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Basic Information
| ChEMBL ID | CHEMBL424214 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWJYXQWEMPOSAS-SAPNQHFASA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
2.79
ALogP
3
HBA
0
HBD
36.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 4.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 4.53 | 4.53 | 29512.1 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 4.41 | 4.41 | 38904.5 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 4.26 | 4.26 | 54954.1 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 4.05 | 4.05 | 89125.1 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 4.01 | 4.01 | 97723.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 29512.09 | nM | 4.53 | Affinity for Muscarinic acetylcholine receptor M1 expressed in CHO cells by [3H]... | 11354386 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 38904.51 | nM | 4.41 | Affinity for Muscarinic acetylcholine receptor M2 expressed in CHO cells by [3H]... | 11354386 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 54954.09 | nM | 4.26 | Affinity for Muscarinic acetylcholine receptor M5 expressed in CHO cells by [3H]... | 11354386 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 89125.09 | nM | 4.05 | Affinity for Muscarinic acetylcholine receptor M4 expressed in CHO cells by [3H]... | 11354386 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 97723.72 | nM | 4.01 | Affinity for Muscarinic acetylcholine receptor M3 expressed in CHO cells by [3H]... | 11354386 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11354386 | 10.1016/s0960-894x(01)00186-x | Muscarinic acetylcholine receptor M1 | 1 |
| 11354386 | 10.1016/s0960-894x(01)00186-x | Muscarinic acetylcholine receptor M2 | 1 |
| 11354386 | 10.1016/s0960-894x(01)00186-x | Muscarinic acetylcholine receptor M3 | 1 |
| 11354386 | 10.1016/s0960-894x(01)00186-x | Muscarinic acetylcholine receptor M4 | 1 |
| 11354386 | 10.1016/s0960-894x(01)00186-x | Muscarinic acetylcholine receptor M5 | 1 |
Data from ChEMBL 36 via Core Engine