Compound Detail
CHEMBL75919
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 | CHEMBL75919 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBHFNBQPZCRWQP-ROPPNANJSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
3.67
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 5.46 | 5.46 | 3500.0 | 2 |
| Cholinesterase CHEMBL1914 | IC50 | 4.63 | 4.63 | 23490.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 3500.0 | nM | 5.46 | Anticholinesterase activity against erythrocyte acetylcholinesterase (AChE) in h... | 9632370 |
| Acetylcholinesterase | IC50 | = | 3500.5 | nM | 5.46 | Inhibition of human acetylcholinesterase from erythrocytes (RBC) | 9288171 |
| Cholinesterase | IC50 | = | 23500.0 | nM | 4.63 | Anticholinesterase activity against plasma Butyrylcholinesterase (BChE) in human... | 9632370 |
| Cholinesterase | IC50 | = | 23490.0 | nM | 4.63 | Inhibition of human Butyrylcholinesterase | 9288171 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17640880 | 10.1073/pnas.0705346104 | Mus musculus | 4 |
| 17640880 | 10.1073/pnas.0705346104 | NON-PROTEIN TARGET | 4 |
| 17640880 | 10.1073/pnas.0705346104 | Unchecked | 2 |
| 9632370 | 10.1021/jm9800494 | Acetylcholinesterase | 1 |
| 9632370 | 10.1021/jm9800494 | Cholinesterase | 1 |
| 9288171 | 10.1021/jm970210v | Acetylcholinesterase | 1 |
| 9288171 | 10.1021/jm970210v | Cholinesterase | 1 |
| 20684567 | 10.1021/jm100573q | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine