Compound Detail
CHEMBL486698
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 | CHEMBL486698 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPMVLFJHKYWZKV-UHFFFAOYSA-N |
| Parent Compound | CHEMBL292314 |
| Active Moiety | CHEMBL292314 |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
232.7
MW (Da)
3.35
ALogP
2
HBA
1
HBD
38.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4768 | IC50 | 8.24 | 8.24 | 5.7 | 2 |
| Acetylcholinesterase CHEMBL220 | IC50 | 8.08 | 8.08 | 8.3 | 2 |
| Cholinesterase CHEMBL1914 | IC50 | 6.71 | 6.375 | 196.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 5.73 | nM | 8.24 | Inhibition of bovine erythrocyte AChE by Ellman's assay | 18517184 |
| Acetylcholinesterase | IC50 | = | 5.73 | nM | 8.24 | Inhibition of bovine AChE by Ellman's method | 19663388 |
| Acetylcholinesterase | IC50 | = | 8.32 | nM | 8.08 | Inhibition of human erythrocyte AChE by Ellman's assay | 18517184 |
| Acetylcholinesterase | IC50 | = | 8.32 | nM | 8.08 | Inhibition of AChE in human erythrocytes by Ellman's method | 19663388 |
| Cholinesterase | IC50 | = | 196.0 | nM | 6.71 | Inhibition of human serum BChE by Ellman's assay | 18517184 |
| Cholinesterase | IC50 | = | 916.0 | nM | 6.04 | Inhibition of human serum BChE by Ellman's method | 19663388 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18517184 | 10.1021/jm8001313 | Acetylcholinesterase | 4 |
| 19663388 | 10.1021/jm900859q | Acetylcholinesterase | 2 |
| 19663388 | 10.1021/jm900859q | ADMET | 2 |
| 18517184 | 10.1021/jm8001313 | Cholinesterase | 1 |
| 19663388 | 10.1021/jm900859q | Cholinesterase | 1 |
| 19663388 | 10.1021/jm900859q | Cholinesterases; ACHE & BCHE | 1 |
| 19663388 | 10.1021/jm900859q | Amyloid-beta precursor protein | 1 |
| 19663388 | 10.1021/jm900859q | Beta-secretase 1 | 1 |
Data from ChEMBL 36 via Core Engine