Compound Detail
CHEMBL225077
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 | CHEMBL225077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAGXISPTVQTZFB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
533.1
MW (Da)
7.20
ALogP
4
HBA
3
HBD
79.0
PSA (Ų)
0.16
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4768 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 7.23 | 7.23 | 59.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 3.0 | nM | 8.52 | Inhibition of AchE in bovine erythrocytes | 16279781 |
| Cholinesterase | IC50 | = | 59.0 | nM | 7.23 | Inhibition of human serum BChE | 16279781 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16279781 | 10.1021/jm0503289 | Acetylcholinesterase | 1 |
| 16279781 | 10.1021/jm0503289 | Cholinesterase | 1 |
| 16279781 | 10.1021/jm0503289 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine