Compound Detail
CHEMBL4283298
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 | CHEMBL4283298 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGNIMCWMPZQCPH-UHFFFAOYSA-M |
| Parent Compound | CHEMBL4299837 |
| Active Moiety | CHEMBL4299837 |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
477.7
MW (Da)
5.31
ALogP
5
HBA
1
HBD
55.7
PSA (Ų)
0.27
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 8.76 | 8.76 | 1.7 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 8.34 | 8.34 | 4.6 | 1 |
| Cholinesterase CHEMBL5763 | IC50 | 8.29 | 8.29 | 5.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 1.738 | nM | 8.76 | Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pret... | 30108847 |
| Acetylcholinesterase | IC50 | = | 1.995 | nM | 8.7 | Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthioc... | 30108847 |
| Cholinesterase | IC50 | = | 4.571 | nM | 8.34 | Inhibition of human serum BChE using butyrylthiocholine iodide as substrate pret... | 30108847 |
| Cholinesterase | IC50 | = | 5.129 | nM | 8.29 | Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate pre... | 30108847 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108847 | 10.1039/C7MD00149E | Acetylcholinesterase | 2 |
| 30108847 | 10.1039/C7MD00149E | Cholinesterase | 2 |
| 30108847 | 10.1039/C7MD00149E | HepG2 | 1 |
| 30108847 | 10.1039/C7MD00149E | No relevant target | 1 |
| 30108847 | 10.1039/C7MD00149E | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine