Compound Detail
CHEMBL1782728
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 | CHEMBL1782728 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPEGGYAGDGRTNR-JTHBVZDNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
317.5
MW (Da)
5.38
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.73
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL5763 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of Equine serum BChE using butyrylthiocholine iodide as a substrate a... | 21459491 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21459491 | 10.1016/j.ejmech.2011.02.071 | Acetylcholinesterase | 1 |
| 21459491 | 10.1016/j.ejmech.2011.02.071 | Cholinesterase | 1 |
| 25311562 | 10.1016/j.bmc.2014.09.040 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine