Compound Detail
CHEMBL1613299
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Basic Information
| ChEMBL ID | CHEMBL1613299 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEPNAQSFBMZOEC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
3.19
ALogP
4
HBA
1
HBD
67.9
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 8.39 | 8.39 | 4.1 | 1 |
| Beta-secretase 1 CHEMBL4822 | IC50 | 7.74 | 7.74 | 18.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 4.11 | nM | 8.39 | Inhibition of AChE (unknown origin) | 33984802 |
| Beta-secretase 1 | IC50 | = | 18.3 | nM | 7.74 | Inhibition of BACE1 (unknown origin) | 33984802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33984802 | 10.1016/j.ejmech.2021.113492 | Acetylcholinesterase | 1 |
| 33984802 | 10.1016/j.ejmech.2021.113492 | Beta-secretase 1 | 1 |
Data from ChEMBL 36 via Core Engine