Compound Detail
CHEMBL348075
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Basic Information
| ChEMBL ID | CHEMBL348075 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXPYSTCSWHWQCS-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
196.2
MW (Da)
-0.05
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.41
Kd 1 meas. best 4.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | EC50 | 4.41 | 4.41 | 38800.0 | 1 |
| Muscarinic acetylcholine receptor CHEMBL2094109 | Kd | 4.18 | 4.18 | 65600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | EC50 | = | 38800.0 | nM | 4.41 | Concentration that elicits 50% of its own maximum contractile response, in guine... | 3346873 |
| Muscarinic acetylcholine receptor | Kd | = | 65600.0 | nM | 4.18 | Equilibrium dissociation constant muscarinic receptor complex, measured in guine... | 3346873 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3346873 | 10.1021/jm00398a015 | Cavia porcellus | 4 |
| 3346873 | 10.1021/jm00398a015 | Muscarinic acetylcholine receptor | 1 |
| 3346873 | 10.1021/jm00398a015 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine