Compound Detail
CHEMBL3753756
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Basic Information
| ChEMBL ID | CHEMBL3753756 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKJKESPDFKHBGZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
324.2
MW (Da)
4.71
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.14 | 5.05 | 7300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 7300.0 | nM | 5.14 | Antiplasmodial activity against mefloquine-resistant Plasmodium falciparum D6 as... | 26750257 |
| Plasmodium falciparum | IC50 | = | 11000.0 | nM | 4.96 | Antiplasmodial activity against chloroquine, quinine and pyrimethamine-resistant... | 26750257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26750257 | 10.1016/j.bmcl.2015.12.032 | Plasmodium falciparum | 3 |
| 26750257 | 10.1016/j.bmcl.2015.12.032 | Liver microsome | 1 |
Data from ChEMBL 36 via Core Engine