Compound Detail
CHEMBL219825
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Basic Information
| ChEMBL ID | CHEMBL219825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFCLHAWGKPEFIX-AABGKKOBSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
331.5
MW (Da)
4.65
ALogP
3
HBA
0
HBD
12.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 9.04 | 9.04 | 0.9 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 8.92 | 8.92 | 1.2 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 8.9 | 8.9 | 1.3 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 8.84 | 8.84 | 1.4 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 8.35 | 8.35 | 4.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 0.912 | nM | 9.04 | Binding affinity to human cloned muscarinic receptor M1 expressed in CHO cells | 17305327 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 1.202 | nM | 8.92 | Binding affinity to human cloned muscarinic receptor M5 expressed in CHO cells | 17305327 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 1.259 | nM | 8.9 | Binding affinity to human cloned muscarinic receptor M4 expressed in CHO cells | 17305327 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 1.445 | nM | 8.84 | Binding affinity to human cloned muscarinic receptor M3 expressed in CHO cells | 17305327 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 4.467 | nM | 8.35 | Binding affinity to human cloned muscarinic receptor M2 expressed in CHO cells | 17305327 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17305327 | 10.1021/jm061374r | Muscarinic acetylcholine receptor M1 | 2 |
| 17305327 | 10.1021/jm061374r | Muscarinic acetylcholine receptor M2 | 2 |
| 17305327 | 10.1021/jm061374r | Muscarinic acetylcholine receptor M3 | 2 |
| 17305327 | 10.1021/jm061374r | Muscarinic acetylcholine receptor M4 | 2 |
| 17305327 | 10.1021/jm061374r | Muscarinic acetylcholine receptor M5 | 1 |
Data from ChEMBL 36 via Core Engine