Compound Detail
CHEMBL109293
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Basic Information
| ChEMBL ID | CHEMBL109293 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEDVCGGOYRSGOV-UHFFFAOYSA-N |
2
Targets
3
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
221.3
MW (Da)
0.50
ALogP
2
HBA
1
HBD
35.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas.
Kd 1 meas. best 6.32
Ki 1 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | Kd | 6.32 | 6.32 | 480.0 | 1 |
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 6.19 | 6.19 | 640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | Kd | = | 480.0 | nM | 6.32 | Dissociation constant for complex with muscarinic acetylcholine receptor M3 of g... | 1507212 |
| Muscarinic acetylcholine receptor | Ki | = | 640.0 | nM | 6.19 | Displacement of [3H]3-quinuclidinyl benzilate ([3H]-QNB) from muscarinic acetylc... | 1507212 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1507212 | 10.1021/jm00095a025 | Muscarinic acetylcholine receptor M3 | 4 |
| 1507212 | 10.1021/jm00095a025 | Muscarinic acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine