Compound Detail
CHEMBL1935148
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
COc1ccc(C2C3CSCN3C3(C(=O)Nc4ccc(Cl)cc43)C23Cc2cc(OC)c(OC)cc2C3=O)cc1OC
Basic Information
| ChEMBL ID | CHEMBL1935148 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKHDCFIRNGTLJP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
593.1
MW (Da)
5.12
ALogP
8
HBA
1
HBD
86.3
PSA (Ų)
0.44
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 5.65 | 5.65 | 2240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 2240.0 | nM | 5.65 | 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