Compound Detail
CHEMBL50831
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Basic Information
| ChEMBL ID | CHEMBL50831 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OODDNJQTVFMGCF-MRVPVSSYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
183.2
MW (Da)
0.83
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 4.58 | 4.58 | 26000.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Ki | 4.43 | 4.43 | 37000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| KA | 4.5 | uM | Cavia porcellus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 26000.0 | nM | 4.58 | Compound was evaluated for its affinity towards Muscarinic acetylcholine recepto... | - |
| Muscarinic acetylcholine receptor M2 | Ki | = | 37000.0 | nM | 4.43 | Compound was evaluated for its affinity towards Muscarinic acetylcholine recepto... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00301-9 | Muscarinic acetylcholine receptor M1 | 2 |
| - | 10.1016/0960-894X(95)00301-9 | Muscarinic acetylcholine receptor M2 | 2 |
| - | 10.1016/0960-894X(95)00301-9 | Muscarinic acetylcholine receptor M3 | 2 |
Data from ChEMBL 36 via Core Engine