Compound Detail
CHEMBL461087
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Basic Information
| ChEMBL ID | CHEMBL461087 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIFJPSLQRGQNMM-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
137.2
MW (Da)
1.70
ALogP
2
HBA
1
HBD
25.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 4.94 | 4.94 | 11481.5 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 4.78 | 4.78 | 16595.9 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 4.53 | 4.53 | 29512.1 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 4.06 | 4.06 | 87096.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | Ki | = | 11481.54 | nM | 4.94 | Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO cells... | 18543900 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 16595.87 | nM | 4.78 | Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells... | 18543900 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 29512.09 | nM | 4.53 | Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO cells... | 18543900 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 87096.36 | nM | 4.06 | Displacement of [3H]NMS from human muscarinic M4 receptor expressed in CHO cells... | 18543900 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3988442 | Unchecked | 3 |
| - | 10.6019/CHEMBL4513160 | Pseudomonas aeruginosa | 2 |
| 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 M3 | 1 |
| 18543900 | 10.1021/jm800145d | Muscarinic acetylcholine receptor M4 | 1 |
| 18543900 | 10.1021/jm800145d | Muscarinic acetylcholine receptor M5 | 1 |
| - | 10.6019/CHEMBL4513160 | Acinetobacter baumannii | 1 |
Data from ChEMBL 36 via Core Engine