Compound Detail
CHEMBL39843
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Basic Information
| ChEMBL ID | CHEMBL39843 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFKRAFHGSCEDLN-BFHBGLAWSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
181.3
MW (Da)
1.65
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 4.7
EC50 1 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 4.7 | 4.7 | 20000.0 | 1 |
| Cavia porcellus CHEMBL369 | EC50 | 4.52 | 4.52 | 30000.0 | 1 |
| Cavia porcellus CHEMBL369 | Ki | 4.24 | 4.24 | 57000.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | Ki | 4.11 | 4.11 | 78000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 20000.0 | nM | 4.7 | Compound was evaluated for its binding affinity against Muscarinic acetylcholine... | 1578479 |
| Cavia porcellus | EC50 | = | 30000.0 | nM | 4.52 | In vitro agonistic activity on isolated guinea pig ileum | 1578479 |
| Cavia porcellus | Ki | = | 57000.0 | nM | 4.24 | Compound was evaluated for antagonistic activity against carbachol induced contr... | 1578479 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 78000.0 | nM | 4.11 | Compound was evaluated for its binding affinity against Muscarinic acetylcholine... | 1578479 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1578479 | 10.1021/jm00087a007 | Cavia porcellus | 4 |
| 1578479 | 10.1021/jm00087a007 | Muscarinic acetylcholine receptor M1 | 1 |
| 1578479 | 10.1021/jm00087a007 | Muscarinic acetylcholine receptor M2 | 1 |
| 1578479 | 10.1021/jm00087a007 | Muscarinic acetylcholine receptor M3 | 1 |
Data from ChEMBL 36 via Core Engine