Compound Detail
CHEMBL111404
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(CCCCCCNCc1ccc(CNCCCCCCNCc2ccccc2OC)cc1)Cc1ccccc1OC
Basic Information
| ChEMBL ID | CHEMBL111404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTFYNHVLDOTNDM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
701.1
MW (Da)
10.05
ALogP
6
HBA
3
HBD
57.8
PSA (Ų)
0.06
QED
2
Ro5 Violations
32
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.49 | 6.49 | 323.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 323.59 | nM | 6.49 | Antagonist activity against Nicotinic acetylcholine receptor (nAChR) of isolated... | 12109912 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12109912 | 10.1021/jm020835f | Unchecked | 1 |
| 12109912 | 10.1021/jm020835f | Acetylcholine receptor subunit delta | 1 |
Data from ChEMBL 36 via Core Engine