Compound Detail
CHEMBL339081
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Basic Information
| ChEMBL ID | CHEMBL339081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDIGSPWEOMQNHN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
255.3
MW (Da)
1.41
ALogP
6
HBA
0
HBD
47.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL276 | IC50 | 7.7 | 7.44 | 20.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | IC50 | = | 20.0 | nM | 7.7 | Binding affinity for muscarinic acetylcholine receptor M1 using [3H]oxotremorine... | 9464368 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 65.5 | nM | 7.18 | 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 | 4 |
| 9464368 | 10.1021/jm970125n | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine