Compound Detail
CHEMBL2296102
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Basic Information
| ChEMBL ID | CHEMBL2296102 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEHGKIJRHQCNPI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
241.3
MW (Da)
4.01
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL5763 | IC50 | 5.39 | 5.39 | 4070.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 4070.0 | nM | 5.39 | Inhibition of BCHE in Equus caballus (horse) serum using butyrylthiocholine iodi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-013-0493-8 | Acetylcholinesterase | 2 |
| - | 10.1007/s00044-013-0493-8 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine