Compound Detail
CHEMBL171215
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Basic Information
| ChEMBL ID | CHEMBL171215 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSYHCFDESCZONT-UHFFFAOYSA-M |
| Parent Compound | CHEMBL31915 |
| Active Moiety | CHEMBL31915 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
2.44
ALogP
4
HBA
0
HBD
74.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL4781 | EC50 | 5.05 | 5.05 | 8820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | EC50 | = | 8820.0 | nM | 5.05 | Allosteric potency against the dissociation of radioligand [3H]N-methylscopolami... | 10072682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10072682 | 10.1021/jm981023f | Muscarinic acetylcholine receptor M2 | 1 |
Data from ChEMBL 36 via Core Engine