Compound Detail
CHEMBL343731
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Basic Information
| ChEMBL ID | CHEMBL343731 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZKNQABKYRAKQE-GHMZBOCLSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
283.5
MW (Da)
3.24
ALogP
5
HBA
0
HBD
29.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Ki 1 meas. best 9.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 9.35 | 9.35 | 0.5 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.0 | 8.0 | 9.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | Ki | = | 0.45 | nM | 9.35 | Binding affinity against Muscarinic acetylcholine receptors using [3H]oxotremori... | 9046345 |
| Unchecked | IC50 | = | 9.9 | nM | 8.0 | In vitro inhibition of [3H]Oxo-Mas binding to M1 and M4 receptors in rat brain h... | 9784113 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9784113 | 10.1021/jm981048e | Mus musculus | 3 |
| 9046345 | 10.1021/jm9602470 | Mustela putorius furo | 2 |
| 9784113 | 10.1021/jm981048e | Rattus norvegicus | 2 |
| 9046345 | 10.1021/jm9602470 | Muscarinic acetylcholine receptor | 1 |
| 9046345 | 10.1021/jm9602470 | Mus musculus | 1 |
| 9046345 | 10.1021/jm9602470 | ADMET | 1 |
| 9784113 | 10.1021/jm981048e | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine