Compound Detail
CHEMBL433527
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 | CHEMBL433527 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAFXKXJMUGMXJC-RRABGKBLSA-N |
| Parent Compound | CHEMBL1185801 |
| Active Moiety | CHEMBL1185801 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
249.4
MW (Da)
4.11
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Choline O-acetyltransferase CHEMBL4039 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Choline O-acetyltransferase | IC50 | = | 4300.0 | nM | 5.37 | Inhibition of choline acetyltransferase (CAT) enzyme | 3351860 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3351860 | 10.1021/jm00399a022 | Choline O-acetyltransferase | 1 |
| 3351860 | 10.1021/jm00399a022 | Acetylcholinesterase | 1 |
| 3351860 | 10.1021/jm00399a022 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine