Compound Detail
CHEMBL2042406
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2042406 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKINEQWDKRMUEM-FSRHSHDFSA-M |
| Parent Compound | CHEMBL2079010 |
| Active Moiety | CHEMBL2079010 |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
3.05
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 7.79 | 7.79 | 16.2 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 7.48 | 7.48 | 33.1 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 7.21 | 7.21 | 61.7 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 6.97 | 6.97 | 107.2 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 6.82 | 6.82 | 151.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 16.22 | nM | 7.79 | Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor expres... | 22243489 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 33.11 | nM | 7.48 | Displacement of [3H]N-methylscopolamine from human muscarinic M2 receptor expres... | 22243489 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 61.66 | nM | 7.21 | Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor expres... | 22243489 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 107.15 | nM | 6.97 | Displacement of [3H]N-methylscopolamine from human muscarinic M5 receptor expres... | 22243489 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 151.36 | nM | 6.82 | Displacement of [3H]N-methylscopolamine from human muscarinic M4 receptor expres... | 22243489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22243489 | 10.1021/jm2013216 | Unchecked | 5 |
| 22243489 | 10.1021/jm2013216 | Muscarinic acetylcholine receptor M5 | 1 |
| 22243489 | 10.1021/jm2013216 | Muscarinic acetylcholine receptor M4 | 1 |
| 22243489 | 10.1021/jm2013216 | Muscarinic acetylcholine receptor M3 | 1 |
| 22243489 | 10.1021/jm2013216 | Muscarinic acetylcholine receptor M2 | 1 |
| 22243489 | 10.1021/jm2013216 | Muscarinic acetylcholine receptor M1 | 1 |
Data from ChEMBL 36 via Core Engine