Compound Detail
CHEMBL6028144
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COc1ccc(C(Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CNC(C(=O)OCC34CCN(CC3)CC4)c3ccccc3)s2)cc1OCC1CC1
Basic Information
| ChEMBL ID | CHEMBL6028144 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REWQUSOQXNHWMM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
780.8
MW (Da)
7.49
ALogP
10
HBA
1
HBD
113.3
PSA (Ų)
0.07
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 8.26 | 8.26 | 5.5 | 1 |
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... | - |
Data from ChEMBL 36 via Core Engine