Compound Detail
CHEMBL3752926
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 | CHEMBL3752926 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVCKLXBGJWQNDS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
6.66
ALogP
5
HBA
2
HBD
76.4
PSA (Ų)
0.23
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 8.13 | 8.13 | 7.3 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 7.36 | 7.36 | 44.2 | 1 |
| Beta-secretase 1 CHEMBL4822 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 7.35 | nM | 8.13 | Inhibition of human serum BChE using butyrylthiocholine iodide as substrate prei... | 26632651 |
| Acetylcholinesterase | IC50 | = | 44.2 | nM | 7.36 | Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate... | 26632651 |
| Beta-secretase 1 | IC50 | = | 430.0 | nM | 6.37 | Inhibition of recombinant human BACE-1 using M-2420 as substrate preincubated fo... | 26632651 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26632651 | 10.1021/acs.jmedchem.5b01119 | Acetylcholinesterase | 1 |
| 26632651 | 10.1021/acs.jmedchem.5b01119 | Cholinesterase | 1 |
| 26632651 | 10.1021/acs.jmedchem.5b01119 | Cholinesterases; ACHE & BCHE | 1 |
| 26632651 | 10.1021/acs.jmedchem.5b01119 | Amyloid-beta precursor protein | 1 |
| 26632651 | 10.1021/acs.jmedchem.5b01119 | Beta-secretase 1 | 1 |
Data from ChEMBL 36 via Core Engine