Compound Detail
CHEMBL571123
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Basic Information
| ChEMBL ID | CHEMBL571123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTXZQPRWWKNJQL-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
5.23
ALogP
2
HBA
0
HBD
16.4
PSA (Ų)
0.66
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 7.37 | 7.37 | 42.7 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 7.19 | 7.19 | 64.6 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 7.07 | 7.07 | 85.1 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 6.98 | 6.98 | 104.7 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 6.8 | 6.8 | 158.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 42.66 | nM | 7.37 | Displacement of [3H]NMS from human cloned muscarinic M1 receptor expressed in CH... | 19928767 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 64.57 | nM | 7.19 | Displacement of [3H]NMS from human cloned muscarinic M2 receptor expressed in CH... | 19928767 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 85.11 | nM | 7.07 | Displacement of [3H]NMS from human cloned muscarinic M3 receptor expressed in CH... | 19928767 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 104.71 | nM | 6.98 | Displacement of [3H]NMS from human cloned muscarinic M5 receptor expressed in CH... | 19928767 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 158.49 | nM | 6.8 | Displacement of [3H]NMS from human cloned muscarinic M4 receptor expressed in CH... | 19928767 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19928767 | 10.1021/jm901048j | Muscarinic acetylcholine receptor M3 | 2 |
| 19928767 | 10.1021/jm901048j | Muscarinic acetylcholine receptor M1 | 1 |
| 19928767 | 10.1021/jm901048j | Muscarinic acetylcholine receptor M2 | 1 |
| 19928767 | 10.1021/jm901048j | Muscarinic acetylcholine receptor M4 | 1 |
| 19928767 | 10.1021/jm901048j | Muscarinic acetylcholine receptor M5 | 1 |
| 19928767 | 10.1021/jm901048j | Unchecked | 1 |
| 19928767 | 10.1021/jm901048j | Muscarinic receptor 2 | 1 |
| 19928767 | 10.1021/jm901048j | Muscarinic receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine