Compound Detail
CHEMBL2042407
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Basic Information
| ChEMBL ID | CHEMBL2042407 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHYPVNXUOIYEEE-GZJHNZOKSA-M |
| Parent Compound | CHEMBL2078985 |
| Active Moiety | CHEMBL2078985 |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
326.5
MW (Da)
3.31
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 5.42 | 5.42 | 3801.9 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 5.12 | 5.12 | 7585.8 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 5.05 | 5.05 | 8912.5 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 4.95 | 4.95 | 11220.2 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 4.55 | 4.55 | 28183.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 3801.89 | nM | 5.42 | Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor expres... | 22243489 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 7585.78 | nM | 5.12 | Displacement of [3H]N-methylscopolamine from human muscarinic M5 receptor expres... | 22243489 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 8912.51 | nM | 5.05 | Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor expres... | 22243489 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 11220.18 | nM | 4.95 | Displacement of [3H]N-methylscopolamine from human muscarinic M4 receptor expres... | 22243489 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 28183.83 | nM | 4.55 | Displacement of [3H]N-methylscopolamine from human muscarinic M2 receptor expres... | 22243489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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