Compound Detail
CHEMBL5273380
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O=c1c(/C=N/Nc2ccc(C(F)(F)F)cc2)coc2c1ccc1oc(-c3cccc(F)c3)cc12
Basic Information
| ChEMBL ID | CHEMBL5273380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGHBHMLRBZGPMV-PNQUVVCRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
466.4
MW (Da)
6.81
ALogP
5
HBA
1
HBD
67.7
PSA (Ų)
0.18
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 4.98 | 4.98 | 10400.0 | 1 |
| Beta-secretase 1 CHEMBL4822 | IC50 | 4.8 | 4.8 | 15800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 10400.0 | nM | 4.98 | Inhibition of AChE (unknown origin) | 33984802 |
| Beta-secretase 1 | IC50 | = | 15800.0 | nM | 4.8 | 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