Compound Detail
CHEMBL1348834
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Basic Information
| ChEMBL ID | CHEMBL1348834 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQBDQXKOFMTXFA-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
314.9
MW (Da)
4.09
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| Beta-secretase 1 CHEMBL4822 | IC50 | 6.18 | 6.18 | 660.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 6.07 | 6.07 | 850.0 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 250.0 | nM | 6.6 | Antiplasmodial activity against Plasmodium falciparum 3D7 infected in RBCs by fi... | 20547797 |
| Beta-secretase 1 | IC50 | = | 660.0 | nM | 6.18 | Inhibition of human BACE1 using as 7-Methoxycoumarin-4-acetyl-[Asn670, Leu671]-A... | 30784883 |
| Acetylcholinesterase | IC50 | = | 850.0 | nM | 6.07 | Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine iod... | 30784883 |
| Cholinesterase | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of human serum butyrylcholinesterase using BTCI as substrate pre-incu... | 30784883 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20547797 | 10.1128/aac.00431-10 | Plasmodium falciparum | 1 |
| 30784883 | 10.1016/j.ejmech.2019.02.030 | Acetylcholinesterase | 1 |
| 30784883 | 10.1016/j.ejmech.2019.02.030 | Cholinesterase | 1 |
| 30784883 | 10.1016/j.ejmech.2019.02.030 | Beta-secretase 1 | 1 |
| 30784883 | 10.1016/j.ejmech.2019.02.030 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine