Compound Detail
CHEMBL5272243
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Basic Information
| ChEMBL ID | CHEMBL5272243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYKASAIWJOBKAM-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
473.1
MW (Da)
4.54
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 7.8 | 6.3 | 15.7 | 2 |
| Acetylcholinesterase CHEMBL220 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 15.74 | nM | 7.8 | Inhibition of BACE1 (unknown origin) | 33984802 |
| Acetylcholinesterase | IC50 | = | 28.99 | nM | 7.54 | Inhibition of AChE (unknown origin) | 33984802 |
| Beta-secretase 1 | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of recombinant human BACE-1 expressed in baculovirus using Rh-EVNLDAE... | 35434628 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35434628 | 10.1039/d1md00394a | Beta-secretase 1 | 2 |
| 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