Compound Detail
CHEMBL3753116
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Basic Information
| ChEMBL ID | CHEMBL3753116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLFLFBNOZMIYRE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
375.3
MW (Da)
5.26
ALogP
3
HBA
1
HBD
51.2
PSA (Ų)
0.66
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.8 | 4.75 | 16000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 16000.0 | nM | 4.8 | Antiplasmodial activity against chloroquine, quinine and pyrimethamine-resistant... | 26750257 |
| Plasmodium falciparum | IC50 | = | 20000.0 | nM | 4.7 | Antiplasmodial activity against mefloquine-resistant Plasmodium falciparum D6 as... | 26750257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26750257 | 10.1016/j.bmcl.2015.12.032 | Plasmodium falciparum | 3 |
Data from ChEMBL 36 via Core Engine