Compound Detail
CHEMBL3945505
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 | CHEMBL3945505 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVRCMRBQQUPCKC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
381.6
MW (Da)
4.74
ALogP
3
HBA
4
HBD
86.8
PSA (Ų)
0.26
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 7.52 | 7.52 | 30.5 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 4.8 | 4.8 | 15900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 30.5 | nM | 7.52 | Inhibition of electric eel AChE using acetylthiocholine iodide as substrate prei... | 27591008 |
| NON-PROTEIN TARGET | IC50 | = | 120.0 | nM | 6.92 | Antitrypanosomal activity against Trypanosoma brucei 221 bloodstream forms asses... | 27591008 |
| Rattus norvegicus | IC50 | = | 15900.0 | nM | 4.8 | Cytotoxicity against rat L6 cells after 6 days by resazurin based fluorescence a... | 27591008 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27591008 | 10.1016/j.bmc.2016.08.036 | NON-PROTEIN TARGET | 2 |
| 27591008 | 10.1016/j.bmc.2016.08.036 | Rattus norvegicus | 1 |
| 27591008 | 10.1016/j.bmc.2016.08.036 | Acetylcholinesterase | 1 |
| 27591008 | 10.1016/j.bmc.2016.08.036 | ADMET | 1 |
| 27591008 | 10.1016/j.bmc.2016.08.036 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine