Compound Detail
CHEMBL131095
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Basic Information
| ChEMBL ID | CHEMBL131095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGYBMFIPDQRKSL-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
192.3
MW (Da)
1.02
ALogP
4
HBA
0
HBD
34.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.77
EC50 1 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 8.77 | 7.6467 | 1.7 | 3 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 7.62 | 7.62 | 24.0 | 1 |
| Muscarinic acetylcholine receptors; M2 & M3 CHEMBL2095187 | EC50 | 6.03 | 6.03 | 940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | Ki | = | 1.7 | nM | 8.77 | In vitro binding affinity for muscarinic receptor by displacing [3H]oxotremorine... | 7990109 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 24.0 | nM | 7.62 | In vitro binding affinity for muscarinic M1 receptor by displacing [3H]pirenzepi... | 7990109 |
| Muscarinic acetylcholine receptor | Ki | = | 61.0 | nM | 7.21 | In vitro binding affinity for muscarinic receptor by displacing [3H]quinuclidiny... | 7990109 |
| Muscarinic acetylcholine receptor | Ki | = | 110.0 | nM | 6.96 | In vitro binding affinity for muscarinic receptor by displacing [3H]quinuclidiny... | 7990109 |
| Muscarinic acetylcholine receptors; M2 & M3 | EC50 | = | 940.0 | nM | 6.03 | M2/M3 agonist activity estimated by contraction of isolated guinea pig ileum | 7990109 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7990109 | 10.1021/jm00050a006 | Muscarinic acetylcholine receptor M2 | 4 |
| 7990109 | 10.1021/jm00050a006 | Muscarinic acetylcholine receptor | 3 |
| 7990109 | 10.1021/jm00050a006 | Muscarinic acetylcholine receptor M1 | 2 |
| 7990109 | 10.1021/jm00050a006 | Rattus norvegicus | 2 |
| 7990109 | 10.1021/jm00050a006 | Muscarinic acetylcholine receptors; M2 & M3 | 1 |
Data from ChEMBL 36 via Core Engine