Compound Detail
CHEMBL5748199
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CCN1CCC(COC(=O)C(NCc2ccc(C(=O)O[C@@H](Cc3c(Cl)c[n+]([O-])cc3Cl)c3ccc(OC)c(OC)c3)s2)c2ccccc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5748199 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYAUBMNOBWMNJJ-GYXLRUHFSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
742.7
MW (Da)
6.95
ALogP
10
HBA
1
HBD
113.3
PSA (Ų)
0.08
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 8.26 | 7.5933 | 5.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | IC50 | = | 5.5 | nM | 8.26 | M3 Binding Assay: Human M3 receptor membranes (15 μg/well) from Perkin Elmer are... | - |
| Muscarinic acetylcholine receptor M3 | IC50 | = | 55.0 | nM | 7.26 | M3 Binding Assay: Human M3 receptor membranes (15 μg/well) from Perkin Elmer are... | - |
| Muscarinic acetylcholine receptor M3 | IC50 | = | 55.0 | nM | 7.26 | M3 Binding Assay: Human M3 receptor membranes (15 μg/well) from Perkin Elmer are... | - |
Data from ChEMBL 36 via Core Engine