Compound Detail
CHEMBL130111
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Basic Information
| ChEMBL ID | CHEMBL130111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPUMKQHZUVEICQ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
277.4
MW (Da)
2.75
ALogP
5
HBA
0
HBD
46.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 7.57 | 7.57 | 27.0 | 1 |
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 7.42 | 7.23 | 38.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 27.0 | nM | 7.57 | In vitro binding affinity for muscarinic M1 receptor by displacing [3H]pirenzepi... | 7990109 |
| Muscarinic acetylcholine receptor | Ki | = | 38.0 | nM | 7.42 | In vitro binding affinity for muscarinic receptor by displacing [3H]quinuclidiny... | 7990109 |
| Muscarinic acetylcholine receptor | Ki | = | 71.0 | nM | 7.15 | In vitro binding affinity for muscarinic receptor by displacing [3H]oxotremorine... | 7990109 |
| Muscarinic acetylcholine receptor | Ki | = | 75.0 | nM | 7.12 | In vitro binding affinity for muscarinic receptor by displacing [3H]quinuclidiny... | 7990109 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7990109 | 10.1021/jm00050a006 | Muscarinic acetylcholine receptor | 3 |
| 7990109 | 10.1021/jm00050a006 | Rattus norvegicus | 2 |
| 7990109 | 10.1021/jm00050a006 | Muscarinic acetylcholine receptor M1 | 1 |
Data from ChEMBL 36 via Core Engine