Compound Detail
CHEMBL143434
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Basic Information
| ChEMBL ID | CHEMBL143434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHSRAFIAXWJDEF-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
564.9
MW (Da)
6.83
ALogP
10
HBA
0
HBD
58.0
PSA (Ų)
0.17
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.22
Ki 1 meas. best 9.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 9.49 | 9.49 | 0.3 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | EC50 | 9.22 | 9.22 | 0.6 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | EC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 0.32 | nM | 9.49 | Binding affinity towards M1 muscarinic receptor expressed in A9 L cells by displ... | 11741475 |
| Muscarinic acetylcholine receptor M4 | EC50 | = | 0.6 | nM | 9.22 | Agonist activity against M4 muscarinic receptor expressed in RBL-2H3 Mast cells. | 11741475 |
| Muscarinic acetylcholine receptor M1 | EC50 | = | 2100.0 | nM | 5.68 | Agonistic activity against M1 muscarinic receptor expressed in A9 L cells. | 11741475 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11741475 | 10.1021/jm0102405 | Muscarinic acetylcholine receptor M1 | 3 |
| 11741475 | 10.1021/jm0102405 | Muscarinic acetylcholine receptor M4 | 1 |
| 11741475 | 10.1021/jm0102405 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine