Compound Detail
CHEMBL39922
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Basic Information
| ChEMBL ID | CHEMBL39922 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKIHOOFFVUKSNN-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
197.3
MW (Da)
1.23
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.03
EC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 5.03 | 5.03 | 9300.0 | 1 |
| Cavia porcellus CHEMBL369 | EC50 | 4.66 | 4.66 | 22000.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 4.52 | 4.52 | 30000.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | Ki | 4.41 | 4.41 | 39000.0 | 1 |
| Cavia porcellus CHEMBL369 | Ki | 4.35 | 4.35 | 45000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 9300.0 | nM | 5.03 | Compound was evaluated for its binding affinity against muscarinic acetylcholine... | 1578479 |
| Cavia porcellus | EC50 | = | 22000.0 | nM | 4.66 | In vitro agonistic activity on isolated guinea pig ileum | 1578479 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 30000.0 | nM | 4.52 | Compound was evaluated for its binding affinity against muscarinic acetylcholine... | 1578479 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 39000.0 | nM | 4.41 | Compound was evaluated for its binding affinity against muscarinic acetylcholine... | 1578479 |
| Cavia porcellus | Ki | = | 45000.0 | nM | 4.35 | Compound was evaluated for antagonistic activity against carbachol induced contr... | 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