Compound Detail
CHEMBL293975
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 | CHEMBL293975 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYAGAVRSOFABFO-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
1
Known Names
Molecular Properties
182.2
MW (Da)
0.19
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.04
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 7.04 | 6.035 | 92.0 | 2 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 4.8 | 4.66 | 16000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 92.0 | nM | 7.04 | binding affinity in rat hippocampi against alpha7 nicotinic receptor | 11063601 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 9400.0 | nM | 5.03 | binding affinity in rat hippocampi against alpha7 nicotinic receptor | 11063601 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 16000.0 | nM | 4.8 | binding affinity in rat forebrain against alpha4-beta2 nicotinic receptor | 11063601 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 30000.0 | nM | 4.52 | binding affinity in rat forebrain against alpha4-beta2 nicotinic receptor | 11063601 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11063601 | 10.1021/jm000249r | Neuronal acetylcholine receptor subunit alpha-7 | 6 |
| 11063601 | 10.1021/jm000249r | Neuronal acetylcholine receptor; alpha4/beta2 | 2 |
| 16033252 | 10.1021/jm040219e | Unchecked | 2 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha3/beta2 | 1 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine