Compound Detail
CHEMBL140142
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Basic Information
| ChEMBL ID | CHEMBL140142 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AAECWYRBNLAANF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
596.8
MW (Da)
2.35
ALogP
14
HBA
0
HBD
113.4
PSA (Ų)
0.22
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 8.82 | 8.82 | 1.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 1.5 | nM | 8.82 | Binding affinity towards M1 muscarinic receptor expressed in A9 L cells by displ... | 11741475 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11741475 | 10.1021/jm0102405 | Muscarinic acetylcholine receptor M1 | 2 |
Data from ChEMBL 36 via Core Engine