Compound Detail
CHEMBL1935146
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
COc1cc2c(cc1OC)C(=O)C1(C2)C(c2ccncc2)C2CSCN2C12C(=O)Nc1ccc(Cl)cc12
Basic Information
| ChEMBL ID | CHEMBL1935146 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTBOSGGAESESJX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
534.0
MW (Da)
4.50
ALogP
7
HBA
1
HBD
80.8
PSA (Ų)
0.53
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 340.0 | nM | 6.47 | Inhibition of electric eel AChE using acetylcholine as substrate measured every ... | 22142546 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22142546 | 10.1016/j.bmcl.2011.10.087 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine