Compound Detail
CHEMBL373515
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Basic Information
| ChEMBL ID | CHEMBL373515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJXAGMVNACHDOG-RBUKOAKNSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
325.5
MW (Da)
4.11
ALogP
3
HBA
0
HBD
12.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 8.48 | 8.48 | 3.3 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 8.46 | 8.46 | 3.5 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 8.31 | 8.31 | 4.9 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 8.28 | 8.28 | 5.2 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 8.25 | 8.25 | 5.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 | Ki | = | 3.311 | nM | 8.48 | Binding affinity to human cloned muscarinic receptor M4 expressed in CHO cells | 17305327 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 3.467 | nM | 8.46 | Binding affinity to human cloned muscarinic receptor M1 expressed in CHO cells | 17305327 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 4.898 | nM | 8.31 | Binding affinity to human cloned muscarinic receptor M2 expressed in CHO cells | 17305327 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 5.248 | nM | 8.28 | Binding affinity to human cloned muscarinic receptor M3 expressed in CHO cells | 17305327 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 5.623 | nM | 8.25 | Binding affinity to human cloned muscarinic receptor M5 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