Compound Detail
CHEMBL278618
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Basic Information
| ChEMBL ID | CHEMBL278618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCXAWZALXGTNQO-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1183077 |
| Active Moiety | CHEMBL1183077 |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
186.3
MW (Da)
0.99
ALogP
3
HBA
0
HBD
35.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.72
EC50 1 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| Cavia porcellus CHEMBL369 | EC50 | 6.08 | 6.08 | 840.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | IC50 | 5.8 | 5.12 | 1600.0 | 2 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 19.0 | nM | 7.72 | Inhibition of [3H]oxotremorine-M binding to rat brain membrane Muscarinic acetyl... | 3385727 |
| Cavia porcellus | EC50 | = | 840.0 | nM | 6.08 | Effective concentration of compound for the agonistic activity on guinea pig ile... | 3385727 |
| Muscarinic acetylcholine receptor M2 | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of [3H]quinuclidinyl benzilate binding to Muscarinic acetylcholine re... | 3385727 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of [3H]pirenzepine binding to rat brain membrane Muscarinic acetylcho... | 3385727 |
| Muscarinic acetylcholine receptor M2 | IC50 | = | 36000.0 | nM | 4.44 | Inhibition of [3H]quinuclidinyl benzilate binding to Muscarinic acetylcholine re... | 3385727 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3385727 | 10.1021/jm00402a010 | Muscarinic acetylcholine receptor M2 | 2 |
| 3385727 | 10.1021/jm00402a010 | Cavia porcellus | 2 |
| 3385727 | 10.1021/jm00402a010 | Unchecked | 2 |
| 3385727 | 10.1021/jm00402a010 | Muscarinic acetylcholine receptor M1 | 1 |
| 3385727 | 10.1021/jm00402a010 | Muscarinic acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine