Compound Detail
CHEMBL4127428
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Basic Information
| ChEMBL ID | CHEMBL4127428 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UUQSWYMJKUSTBX-UPVQGACJSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
3.37
ALogP
5
HBA
0
HBD
48.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 6.92 | 6.92 | 120.2 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 6.75 | 6.75 | 177.8 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 6.7 | 6.7 | 199.5 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 6.38 | 6.38 | 416.9 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 6.33 | 6.33 | 467.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 120.23 | nM | 6.92 | Displacement of [3H]NMS from recombinant human muscarinic M1 receptor expressed ... | 28609709 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 177.83 | nM | 6.75 | Displacement of [3H]NMS from recombinant human muscarinic M4 receptor expressed ... | 28609709 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 199.53 | nM | 6.7 | Displacement of [3H]NMS from recombinant human muscarinic M2 receptor expressed ... | 28609709 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 416.87 | nM | 6.38 | Displacement of [3H]NMS from recombinant human muscarinic M3 receptor expressed ... | 28609709 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 467.74 | nM | 6.33 | Displacement of [3H]NMS from recombinant human muscarinic M5 receptor expressed ... | 28609709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28609709 | 10.1016/j.ejmech.2017.06.004 | Muscarinic acetylcholine receptor M1 | 1 |
| 28609709 | 10.1016/j.ejmech.2017.06.004 | Muscarinic acetylcholine receptor M2 | 1 |
| 28609709 | 10.1016/j.ejmech.2017.06.004 | Muscarinic acetylcholine receptor M3 | 1 |
| 28609709 | 10.1016/j.ejmech.2017.06.004 | Muscarinic acetylcholine receptor M4 | 1 |
| 28609709 | 10.1016/j.ejmech.2017.06.004 | Muscarinic acetylcholine receptor M5 | 1 |
Data from ChEMBL 36 via Core Engine