Compound Detail
CHEMBL52619
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
COC1=CC2OC(=O)C(C(=O)NCCCNCCCCCCNCCCCCCCCNCCCCCCNCc3ccccc3OC)=CC2C=C1
Basic Information
| ChEMBL ID | CHEMBL52619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBTYKIJSBBDYRD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
724.0
MW (Da)
6.09
ALogP
9
HBA
5
HBD
122.0
PSA (Ų)
0.03
QED
2
Ro5 Violations
32
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.21 | 6.21 | 616.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 616.6 | nM | 6.21 | Antagonism of carbachol action on nAChR of isolated frog rectus abdominus. | 11960498 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11960498 | 10.1021/jm011067f | Unchecked | 1 |
| 11960498 | 10.1021/jm011067f | Acetylcholine receptor | 1 |
| 11960498 | 10.1021/jm011067f | Muscarinic acetylcholine receptor M2 | 1 |
| 11960498 | 10.1021/jm011067f | Muscarinic acetylcholine receptor M3 | 1 |
Data from ChEMBL 36 via Core Engine