Compound Detail
CHEMBL322731
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 | CHEMBL322731 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNLGNBFPHBIXHZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
548.9
MW (Da)
7.87
ALogP
4
HBA
2
HBD
30.5
PSA (Ų)
0.35
QED
2
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.37 | 5.37 | 4265.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4265.8 | nM | 5.37 | 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 | 1 |
| 12109912 | 10.1021/jm020835f | Muscarinic acetylcholine receptor M2 | 1 |
| 12109912 | 10.1021/jm020835f | Muscarinic acetylcholine receptor M3 | 1 |
| 12109912 | 10.1021/jm020835f | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine