Compound Detail
CHEMBL296895
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Basic Information
| ChEMBL ID | CHEMBL296895 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDCVIADZSOEXDV-GITCGBDTSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
3.46
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL2672 | Ki | 9.7 | 9.7 | 0.2 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Ki | 9.42 | 9.42 | 0.4 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | Ki | 7.23 | 7.23 | 59.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 0.2 | nM | 9.7 | In vitro binding affinity against bovine striatal membrane using [3H]pirenzepine | 7752195 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 0.38 | nM | 9.42 | In vitro binding affinity against rat heart membrane using [3H]-AF-DX-384 | 7752195 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 59.4 | nM | 7.23 | In vitro binding affinity against guinea pig ileum using [3H]N-methylscopolamine | 7752195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7752195 | 10.1021/jm00010a016 | Muscarinic acetylcholine receptor M1 | 1 |
| 7752195 | 10.1021/jm00010a016 | Muscarinic acetylcholine receptor M2 | 1 |
| 7752195 | 10.1021/jm00010a016 | Muscarinic acetylcholine receptor M3 | 1 |
Data from ChEMBL 36 via Core Engine