Compound Detail
CHEMBL337131
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL337131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWGGDUAUQDVEQJ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
466.7
MW (Da)
4.10
ALogP
10
HBA
0
HBD
58.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.46
Ki 1 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 8.92 | 8.92 | 1.2 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | EC50 | 6.46 | 6.46 | 350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 1.2 | nM | 8.92 | Binding affinity towards M1 muscarinic receptor expressed in A9 L cells by displ... | 11741475 |
| Muscarinic acetylcholine receptor M1 | EC50 | = | 350.0 | nM | 6.46 | Agonistic activity against M1 muscarinic receptor expressed in A9 L cells. | 11741475 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11741475 | 10.1021/jm0102405 | Muscarinic acetylcholine receptor M1 | 3 |
Data from ChEMBL 36 via Core Engine