Compound Detail
CHEMBL176400
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Basic Information
| ChEMBL ID | CHEMBL176400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEWGBLHKQDVWLX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
270.3
MW (Da)
1.63
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 7.52 | 7.52 | 30.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Ki | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 30.0 | nM | 7.52 | Displacement of [3H]pirenzepine from muscarinic M1 receptor of rat cortex homoge... | - |
| Muscarinic acetylcholine receptor M2 | Ki | = | 100.0 | nM | 7.0 | Displacement of [3H]QNB (quinuclidinyl benzylate) from muscarinic M2 receptor of... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00143-1 | Muscarinic acetylcholine receptor M1 | 1 |
| - | 10.1016/S0960-894X(97)00143-1 | Muscarinic acetylcholine receptor M2 | 1 |
Data from ChEMBL 36 via Core Engine