Compound Detail
CHEMBL168218
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Basic Information
| ChEMBL ID | CHEMBL168218 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJZXQRNLCSKWGC-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1181363 |
| Active Moiety | CHEMBL1181363 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
236.3
MW (Da)
1.91
ALogP
5
HBA
1
HBD
63.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of [3H]-(R)-QNB binding to muscarinic receptors of rat brain membrane... | 8464038 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8464038 | 10.1021/jm00059a008 | Muscarinic acetylcholine receptor | 1 |
| 8464038 | 10.1021/jm00059a008 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine