Compound Detail
CHEMBL1946826
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Basic Information
| ChEMBL ID | CHEMBL1946826 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDLCKVSBCPDQJX-WJDWOHSUSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
3.37
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 7.0 | 7.0 | 99.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 6.57 | 6.57 | 268.0 | 1 |
| Neutrophil elastase CHEMBL248 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.1 | 5.1 | 7990.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 99.0 | nM | 7.0 | Inhibition of human recombinant MAOB using kynuramine as substrate by fluorimetr... | 22225638 |
| Amine oxidase [flavin-containing] A | IC50 | = | 268.0 | nM | 6.57 | Inhibition of human recombinant MAOA using kynuramine as substrate by fluorimetr... | 22225638 |
| Neutrophil elastase | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of human neutrophil elastase pre-incubated for 30 mins before MeO-Suc... | - |
| Plasmodium falciparum | IC50 | = | 7990.0 | nM | 5.1 | Antiplasmodial activity against chloroquine-resistant ring stage Plasmodium falc... | 24813880 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24813880 | 10.1016/j.ejmech.2014.04.076 | Unchecked | 2 |
| - | 10.1039/C5MD00164A | Neutrophil elastase | 2 |
| 22225638 | 10.1016/j.bmcl.2011.12.056 | Amine oxidase [flavin-containing] B | 1 |
| 22225638 | 10.1016/j.bmcl.2011.12.056 | Amine oxidase [flavin-containing] A | 1 |
| 24813880 | 10.1016/j.ejmech.2014.04.076 | Plasmodium falciparum | 1 |
| 24813880 | 10.1016/j.ejmech.2014.04.076 | HEK-293T | 1 |
| - | 10.1039/C5MD00164A | HEK293 | 1 |
| - | 10.1039/C5MD00164A | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine