Compound Detail
CHEMBL325505
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
CCCCCCCCCN(Cc1ccccc1OC)C(=O)CCCCCN(C)Cc1ccc(-c2ccc(CN(C)CCCCCC(=O)NCc3ccccc3OC)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL325505 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYUIYNQIZFURLC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
833.2
MW (Da)
11.45
ALogP
6
HBA
1
HBD
74.3
PSA (Ų)
0.05
QED
2
Ro5 Violations
31
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.15 | 6.15 | 708.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 707.95 | nM | 6.15 | Antagonist activity against Nicotinic acetylcholine receptor (nAChR) of isolated... | 12109912 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12109912 | 10.1021/jm020835f | Acetylcholinesterase | 1 |
| 12109912 | 10.1021/jm020835f | Unchecked | 1 |
| 12109912 | 10.1021/jm020835f | Acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine