Compound Detail
CHEMBL3617903
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Basic Information
| ChEMBL ID | CHEMBL3617903 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCSMROGLIGUWHP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
387.6
MW (Da)
5.53
ALogP
2
HBA
1
HBD
22.3
PSA (Ų)
0.62
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 5.87 | 5.705 | 1350.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 1350.0 | nM | 5.87 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 in... | 26295174 |
| Plasmodium falciparum | EC50 | = | 2910.0 | nM | 5.54 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum Dd2 in... | 26295174 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26295174 | 10.1016/j.ejmech.2015.07.047 | Plasmodium falciparum | 3 |
| 26295174 | 10.1016/j.ejmech.2015.07.047 | Unchecked | 2 |
| 26295174 | 10.1016/j.ejmech.2015.07.047 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine