Compound Detail
CHEMBL167335
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Basic Information
| ChEMBL ID | CHEMBL167335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZJBFYVPTOHWSK-CSKARUKUSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
168.2
MW (Da)
1.04
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 4 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 7.52 | 6.2 | 30.0 | 2 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 4.59 | 4.59 | 25900.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | IC50 | 4.47 | 4.47 | 34200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 30.0 | nM | 7.52 | Inhibition of 0.1 nM [3H]cis-methyldioxolane binding to rat neocortex muscarinic... | - |
| Muscarinic acetylcholine receptor | IC50 | = | 13230.0 | nM | 4.88 | Inhibition of 0.03 nM [3H]quinuclidinyl benzylate binding to rat neocortex musca... | - |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 25900.0 | nM | 4.59 | Displacement of [3H]QNB in genetically transformed mouse cell line (m1C2) transf... | - |
| Muscarinic acetylcholine receptor M2 | IC50 | = | 34200.0 | nM | 4.47 | Displacement of [3H]QNB from Muscarinic acetylcholine receptor M2 from rat heart... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80535-1 | Muscarinic acetylcholine receptor | 3 |
| - | 10.1016/S0960-894X(00)80535-1 | Muscarinic acetylcholine receptor M2 | 1 |
| - | 10.1016/S0960-894X(00)80535-1 | Muscarinic acetylcholine receptor M1 | 1 |
| - | 10.1016/S0960-894X(00)80535-1 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine