Compound Detail
CHEMBL1202961
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Basic Information
| ChEMBL ID | CHEMBL1202961 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYXRYMPQOFDVPZ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL419358 |
| Active Moiety | CHEMBL419358 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
1.11
ALogP
7
HBA
1
HBD
71.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 4.9 | 4.9 | 12600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | Ki | = | 12600.0 | nM | 4.9 | Displacement of [3H]QNB from rat ileum Muscarinic acetylcholine receptor | 2296026 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2296026 | 10.1021/jm00163a050 | Muscarinic acetylcholine receptor | 1 |
| 2296026 | 10.1021/jm00163a050 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine