Compound Detail
CHEMBL168032
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Basic Information
| ChEMBL ID | CHEMBL168032 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAXOWOWRTQJPQD-MDZDMXLPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
168.2
MW (Da)
1.18
ALogP
3
HBA
1
HBD
35.8
PSA (Ų)
0.30
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 6.86 | 5.645 | 139.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 139.0 | nM | 6.86 | Inhibition of 0.1 nM [3H]cis-methyldioxolane binding to rat neocortex muscarinic... | - |
| Muscarinic acetylcholine receptor | IC50 | = | 36769.0 | nM | 4.43 | Inhibition of 0.03 nM [3H]quinuclidinyl benzylate binding to rat neocortex musca... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80535-1 | Muscarinic acetylcholine receptor | 3 |
Data from ChEMBL 36 via Core Engine