Compound Detail
CHEMBL3758459
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Basic Information
| ChEMBL ID | CHEMBL3758459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLOJPPXELWCUSU-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
451.6
MW (Da)
1.94
ALogP
5
HBA
2
HBD
72.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.3 | 6.81 | 50.0 | 2 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.42 | 5.31 | 3760.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 50.0 | nM | 7.3 | Inhibition of voltage-gated calcium channel in Plasmodium flaciparum Dd2 cells a... | 26832222 |
| Unchecked | IC50 | = | 480.0 | nM | 6.32 | Inhibition of voltage-gated calcium channel in Wistar rat synaptoneurosomes afte... | 26832222 |
| Plasmodium falciparum | IC50 | = | 3760.0 | nM | 5.42 | Antiplasmodial activity against chloroquine sensitive Plasmodium falciparum NF54... | 26832222 |
| Plasmodium falciparum | IC50 | = | 6250.0 | nM | 5.2 | Antiplasmodial activity against multidrug resistant Plasmodium falciparum Dd2 by... | 26832222 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26832222 | 10.1016/j.bmcl.2016.01.052 | Unchecked | 7 |
| 26832222 | 10.1016/j.bmcl.2016.01.052 | Plasmodium falciparum | 2 |
| 26832222 | 10.1016/j.bmcl.2016.01.052 | CHO | 1 |
Data from ChEMBL 36 via Core Engine