Compound Detail
CHEMBL597737
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 | CHEMBL597737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATCMRGMIYIPJQT-UHFFFAOYSA-N |
3
Targets
3
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
3.31
ALogP
5
HBA
0
HBD
45.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.8
IC50 1 meas. best 5.55
Ki 1 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 8.46 | 8.46 | 3.5 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.8 | 6.8 | 160.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 3.45 | nM | 8.46 | Displacement of [125I]BTX from rat alpha7 nicotinic acetylcholine receptor expre... | 20043678 |
| Unchecked | EC50 | = | 160.0 | nM | 6.8 | Agonist activity at human alpha7 nAChR/mouse 5HT3 chimeric receptor expressed in... | 20043678 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of human ERG | 20043678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20043678 | 10.1021/jm9015075 | 5-hydroxytryptamine receptor 3A | 2 |
| 20043678 | 10.1021/jm9015075 | Unchecked | 2 |
| 20043678 | 10.1021/jm9015075 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 20043678 | 10.1021/jm9015075 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 20043678 | 10.1021/jm9015075 | CHO | 1 |
Data from ChEMBL 36 via Core Engine