Compound Detail
CHEMBL1242979
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Basic Information
| ChEMBL ID | CHEMBL1242979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGOZHCNNVCVDJO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
501.6
MW (Da)
3.47
ALogP
5
HBA
1
HBD
71.1
PSA (Ų)
0.57
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | EC50 | 7.89 | 7.89 | 13.0 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | EC50 | 6.52 | 6.52 | 300.0 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | EC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | EC50 | = | 13.0 | nM | 7.89 | Agonist activity at human muscarinic M1 receptor expressed in CHO-K1 cells asses... | 20684563 |
| Muscarinic acetylcholine receptor M4 | EC50 | = | 300.0 | nM | 6.52 | Agonist activity at human muscarinic M4 receptor expressed in BHK-21 cells coexp... | 20684563 |
| Muscarinic acetylcholine receptor M5 | EC50 | = | 1200.0 | nM | 5.92 | Agonist activity at human muscarinic M5 receptor expressed in BHK-21 cells asses... | 20684563 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20684563 | 10.1021/jm100697g | Muscarinic acetylcholine receptor M4 | 2 |
| 20684563 | 10.1021/jm100697g | Muscarinic acetylcholine receptor M5 | 2 |
| 20684563 | 10.1021/jm100697g | Muscarinic acetylcholine receptor M1 | 2 |
| 20684563 | 10.1021/jm100697g | Muscarinic acetylcholine receptor M2 | 1 |
| 20684563 | 10.1021/jm100697g | Muscarinic acetylcholine receptor M3 | 1 |
Data from ChEMBL 36 via Core Engine