Compound Detail
CHEMBL220393
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Basic Information
| ChEMBL ID | CHEMBL220393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIWWXHZNICDGMJ-SXWPHCFWSA-M |
| Parent Compound | CHEMBL1182205 |
| Active Moiety | CHEMBL1182205 |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
346.6
MW (Da)
4.79
ALogP
2
HBA
0
HBD
9.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 9.02 | 9.02 | 1.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 8.83 | 8.83 | 1.5 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 8.74 | 8.74 | 1.8 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 8.49 | 8.49 | 3.2 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 8.31 | 8.31 | 4.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 0.955 | nM | 9.02 | Binding affinity to human cloned muscarinic receptor M1 expressed in CHO cells | 17305327 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 1.479 | nM | 8.83 | Binding affinity to human cloned muscarinic receptor M2 expressed in CHO cells | 17305327 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 1.82 | nM | 8.74 | Binding affinity to human cloned muscarinic receptor M4 expressed in CHO cells | 17305327 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 3.236 | nM | 8.49 | Binding affinity to human cloned muscarinic receptor M5 expressed in CHO cells | 17305327 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 4.898 | nM | 8.31 | Binding affinity to human cloned muscarinic receptor M3 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