Compound Detail
CHEMBL155012
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Basic Information
| ChEMBL ID | CHEMBL155012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCMCMBUSJHQMIC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
193.6
MW (Da)
2.41
ALogP
3
HBA
1
HBD
29.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 4.89 | 4.505 | 13000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of radioligand [3H]QNB binding (competitive inhibition) to muscarinic... | 8558530 |
| Muscarinic acetylcholine receptor | IC50 | = | 76200.0 | nM | 4.12 | Inhibition of radioligand [3H]QNB binding to muscarinic acetylcholine receptor i... | 8558530 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8558530 | 10.1021/jm950644v | Muscarinic acetylcholine receptor | 2 |
| 8558530 | 10.1021/jm950644v | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine