Compound Detail
CHEMBL3770728
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Basic Information
| ChEMBL ID | CHEMBL3770728 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHJHAOCFNHZEGM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
3.32
ALogP
7
HBA
2
HBD
89.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 5100.0 | nM | 5.29 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 i... | 26968650 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26968650 | 10.1016/j.bmc.2016.03.005 | ADMET | 2 |
| 26968650 | 10.1016/j.bmc.2016.03.005 | Plasmodium berghei | 1 |
| 26968650 | 10.1016/j.bmc.2016.03.005 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine