Compound Detail
CHEMBL4080023
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 | CHEMBL4080023 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKJVYCFJMKYASJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
510.8
MW (Da)
8.13
ALogP
4
HBA
2
HBD
49.8
PSA (Ų)
0.26
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3199 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 0.2 | nM | 9.7 | Inhibition of rat cortex AchE using acetylthiocholine iodide as substrate by Ell... | 27876467 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27876467 | 10.1016/j.ejmech.2016.10.060 | Acetylcholinesterase | 1 |
| 27876467 | 10.1016/j.ejmech.2016.10.060 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine