Compound Detail
CHEMBL4089230
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Basic Information
| ChEMBL ID | CHEMBL4089230 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFDHKZMZEXORRX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
455.6
MW (Da)
4.72
ALogP
3
HBA
0
HBD
26.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 8.99 | 8.99 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 1.03 | nM | 8.99 | Inhibition of recombinant human BChE using butyrylthiocholine iodide as substrat... | 29227101 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29227101 | 10.1021/acs.jmedchem.7b01086 | Cholinesterase | 2 |
| 29227101 | 10.1021/acs.jmedchem.7b01086 | Unchecked | 1 |
| 29227101 | 10.1021/acs.jmedchem.7b01086 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine