Compound Detail
CHEMBL3425881
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 | CHEMBL3425881 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIVFHYOIPYEGNO-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3559308 |
| Active Moiety | CHEMBL3559308 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
3.56
ALogP
3
HBA
1
HBD
42.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.77
Kd 1 meas. best 4.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 4.69 | 4.69 | 20500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substra... | 28242549 |
| Unchecked | Kd | = | 20500.0 | nM | 4.69 | Binding affinity to 5'-end biotinylated ADAM10 A10-RNA QGRS (unknown origin) by ... | 25822852 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25822852 | 10.1021/acs.jmedchem.5b00139 | Unchecked | 2 |
| 28242549 | 10.1016/j.ejmech.2017.02.042 | No relevant target | 2 |
| 28242549 | 10.1016/j.ejmech.2017.02.042 | Acetylcholinesterase | 2 |
| 28242549 | 10.1016/j.ejmech.2017.02.042 | Cholinesterase | 2 |
| 28242549 | 10.1016/j.ejmech.2017.02.042 | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine