Compound Detail
CHEMBL161748
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Basic Information
| ChEMBL ID | CHEMBL161748 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRSYDORXKMPVHW-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1181282 |
| Active Moiety | CHEMBL1181282 |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
1.37
ALogP
5
HBA
0
HBD
51.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.97
EC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 6.97 | 5.67 | 107.0 | 2 |
| Muscarinic acetylcholine receptor CHEMBL2094109 | EC50 | 5.89 | 5.89 | 1280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 107.0 | nM | 6.97 | In vitro binding affinity to muscarinic acetylcholine receptor site in rat brain... | 1995893 |
| Muscarinic acetylcholine receptor | EC50 | = | 1280.0 | nM | 5.89 | Agonist activity at muscarinic acetylcholine receptor in isolated guinea pig ile... | 1995893 |
| Muscarinic acetylcholine receptor | IC50 | = | 42800.0 | nM | 4.37 | In Vitro binding affinity to the muscarinic acetylcholine receptor site in rat b... | 1995893 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1995893 | 10.1021/jm00106a033 | Muscarinic acetylcholine receptor | 5 |
Data from ChEMBL 36 via Core Engine