Compound Detail
CHEMBL1770201
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Basic Information
| ChEMBL ID | CHEMBL1770201 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTEXBKFFTSVXID-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
4.17
ALogP
4
HBA
0
HBD
42.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Cholinesterase CHEMBL5763 | IC50 | 5.83 | 5.83 | 1486.0 | 1 |
| SH-SY5Y CHEMBL614910 | IC50 | 5.04 | 5.04 | 9210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 700.0 | nM | 6.16 | Inhibition of electric eel AChE by Ellman's method | 21367493 |
| Cholinesterase | IC50 | = | 1486.0 | nM | 5.83 | Inhibition of equine serum BChE by Ellman's method | 21367493 |
| SH-SY5Y | IC50 | = | 9210.0 | nM | 5.04 | Cytotoxicity against human SH-SY5Y cells assessed as cell viability after 48 hrs... | 21367493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21367493 | 10.1016/j.ejmech.2011.02.005 | Unchecked | 2 |
| 21367493 | 10.1016/j.ejmech.2011.02.005 | Acetylcholinesterase | 1 |
| 21367493 | 10.1016/j.ejmech.2011.02.005 | Cholinesterase | 1 |
| 21367493 | 10.1016/j.ejmech.2011.02.005 | SH-SY5Y | 1 |
Data from ChEMBL 36 via Core Engine