Compound Detail
CHEMBL461709
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Basic Information
| ChEMBL ID | CHEMBL461709 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTRCVGKENRJOLL-SECBINFHSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
165.2
MW (Da)
2.35
ALogP
2
HBA
0
HBD
16.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 4.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 4.71 | 4.71 | 19498.5 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 4.54 | 4.54 | 28840.3 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 4.5 | 4.5 | 31622.8 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 4.35 | 4.35 | 44668.4 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 4.23 | 4.23 | 58884.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Ki | = | 19498.45 | nM | 4.71 | Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO cells... | 18543900 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 28840.32 | nM | 4.54 | Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO cells... | 18543900 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 31622.78 | nM | 4.5 | Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells... | 18543900 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 44668.36 | nM | 4.35 | Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells... | 18543900 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 58884.37 | nM | 4.23 | Displacement of [3H]NMS from human muscarinic M4 receptor expressed in CHO cells... | 18543900 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18543900 | 10.1021/jm800145d | Unchecked | 6 |
| 18543900 | 10.1021/jm800145d | Muscarinic acetylcholine receptor M1 | 1 |
| 18543900 | 10.1021/jm800145d | Muscarinic acetylcholine receptor M2 | 1 |
| 18543900 | 10.1021/jm800145d | Muscarinic acetylcholine receptor M4 | 1 |
| 18543900 | 10.1021/jm800145d | Muscarinic acetylcholine receptor M5 | 1 |
| 18543900 | 10.1021/jm800145d | Muscarinic acetylcholine receptor M3 | 1 |
Data from ChEMBL 36 via Core Engine