Compound Detail
CHEMBL2111844
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Basic Information
| ChEMBL ID | CHEMBL2111844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYXUELNSLZXGFU-QVDQXJPCSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
285.4
MW (Da)
2.51
ALogP
6
HBA
0
HBD
38.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL276 | IC50 | 8.55 | 8.055 | 2.8 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | IC50 | = | 2.8 | nM | 8.55 | Binding affinity for muscarinic acetylcholine receptor M1 using [3H]oxotremorine... | 9464368 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 7.0 | nM | 8.15 | Binding affinity for muscarinic acetylcholine receptor M1 using [3H]pirenzepine ... | 9464368 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 15.0 | nM | 7.82 | Binding affinity for muscarinic acetylcholine receptor M1 using [3H]oxotremorine... | 9464368 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 20.0 | nM | 7.7 | Binding affinity for muscarinic acetylcholine receptor M1 using [3H]pirenzepine ... | 9464368 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9464368 | 10.1021/jm970125n | Muscarinic acetylcholine receptor M1 | 8 |
| 9464368 | 10.1021/jm970125n | Mus musculus | 2 |
Data from ChEMBL 36 via Core Engine