Compound Detail
CHEMBL2297278
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 | CHEMBL2297278 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGNFPYTXEYXYEC-LZYBPNLTSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
5.82
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.96
Ki 2 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | Ki | 5.76 | 5.76 | 1740.0 | 1 |
| Acetylcholinesterase CHEMBL220 | Ki | 5.51 | 5.51 | 3100.0 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 4.96 | 4.96 | 10950.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 4.96 | 4.96 | 10950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | Ki | = | 1740.0 | nM | 5.76 | Inhibition of BuChE (unknown origin) | - |
| Acetylcholinesterase | Ki | = | 3100.0 | nM | 5.51 | Inhibition of AChE (unknown origin) | - |
| Cholinesterase | IC50 | = | 10950.0 | nM | 4.96 | Inhibition of BuChE (unknown origin) | - |
| Acetylcholinesterase | IC50 | = | 10950.0 | nM | 4.96 | Inhibition of AChE (unknown origin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-012-0353-y | Cholinesterase | 2 |
| - | 10.1007/s00044-012-0353-y | Acetylcholinesterase | 2 |
Data from ChEMBL 36 via Core Engine