Compound Detail
CHEMBL3401657
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Basic Information
| ChEMBL ID | CHEMBL3401657 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJSWMRJWTWJORH-CYBMUJFWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
348.5
MW (Da)
2.26
ALogP
5
HBA
2
HBD
52.6
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 5.97 | 5.97 | 1069.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | IC50 | = | 1069.4 | nM | 5.97 | Displacement of [3H]NMS from human M3 receptor expressed in CHOK1 cell membranes... | 25800115 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25800115 | 10.1016/j.bmcl.2015.02.065 | Muscarinic acetylcholine receptor M3 | 1 |
Data from ChEMBL 36 via Core Engine