Compound Detail
CHEMBL307612
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Basic Information
| ChEMBL ID | CHEMBL307612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHPWZPBERXGBLU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
231.3
MW (Da)
1.21
ALogP
3
HBA
0
HBD
38.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 8.28 | 8.03 | 5.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | Ki | = | 5.22 | nM | 8.28 | Binding affinity to muscarinic acetylcholine receptor was determined in presence... | 1875333 |
| Muscarinic acetylcholine receptor | Ki | = | 16.8 | nM | 7.78 | Binding affinity to muscarinic acetylcholine receptor was determined in presence... | 1875333 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1875333 | 10.1021/jm00112a002 | Mus musculus | 6 |
| 1875333 | 10.1021/jm00112a002 | Muscarinic acetylcholine receptor | 3 |
Data from ChEMBL 36 via Core Engine