Compound Detail
CHEMBL2042403
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Basic Information
| ChEMBL ID | CHEMBL2042403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJZHSUUYVXVMCC-DFQHDRSWSA-M |
| Parent Compound | CHEMBL2079020 |
| Active Moiety | CHEMBL2079020 |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
236.3
MW (Da)
1.85
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 4.58 | 4.58 | 26302.7 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 4.53 | 4.53 | 29512.1 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 4.5 | 4.5 | 31622.8 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 4.48 | 4.48 | 33113.1 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 4.4 | 4.4 | 39810.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 26302.68 | nM | 4.58 | Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor expres... | 22243489 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 29512.09 | nM | 4.53 | Displacement of [3H]N-methylscopolamine from human muscarinic M4 receptor expres... | 22243489 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 31622.78 | nM | 4.5 | Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor expres... | 22243489 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 33113.11 | nM | 4.48 | Displacement of [3H]N-methylscopolamine from human muscarinic M5 receptor expres... | 22243489 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 39810.72 | nM | 4.4 | Displacement of [3H]N-methylscopolamine from human muscarinic M2 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