Compound Detail
CHEMBL421127
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Basic Information
| ChEMBL ID | CHEMBL421127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXPDXBPKAPUJJJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
195.3
MW (Da)
-0.08
ALogP
2
HBA
0
HBD
26.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 8.35 | 7.55 | 4.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | Ki | = | 4.5 | nM | 8.35 | Binding affinity to muscarinic acetylcholine receptor was determined in presence... | 1875333 |
| Muscarinic acetylcholine receptor | Ki | = | 180.0 | nM | 6.75 | 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