Compound Detail
CHEMBL3116044
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Basic Information
| ChEMBL ID | CHEMBL3116044 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWGHNWNXGYNYBD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
397.9
MW (Da)
3.00
ALogP
7
HBA
3
HBD
78.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.95 | 6.325 | 113.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 113.0 | nM | 6.95 | Antiplasmodial activity against chloroquine-sensitive asexual erythrocytic stage... | 24354322 |
| Plasmodium falciparum | IC50 | = | 2003.0 | nM | 5.7 | Antiplasmodial activity against chloroquine-resistant asexual erythrocytic stage... | 24354322 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24354322 | 10.1021/jm4014778 | No relevant target | 3 |
| 24354322 | 10.1021/jm4014778 | Human betaherpesvirus 5 | 2 |
| 24354322 | 10.1021/jm4014778 | Coxsackievirus B4 | 2 |
| 24354322 | 10.1021/jm4014778 | Vesicular stomatitis virus | 2 |
| 24354322 | 10.1021/jm4014778 | Plasmodium falciparum | 2 |
| 24354322 | 10.1021/jm4014778 | Human alphaherpesvirus 1 | 2 |
| 24354322 | 10.1021/jm4014778 | Sindbis virus | 1 |
| 29454189 | 10.1016/j.ejmech.2018.02.021 | Plasmodium falciparum | 1 |
| 24354322 | 10.1021/jm4014778 | ADMET | 1 |
| 24354322 | 10.1021/jm4014778 | HeLa | 1 |
| 24354322 | 10.1021/jm4014778 | Human alphaherpesvirus 2 | 1 |
| 24354322 | 10.1021/jm4014778 | Vaccinia virus | 1 |
| 24354322 | 10.1021/jm4014778 | Human respirovirus 3 | 1 |
| 24354322 | 10.1021/jm4014778 | Mammalian orthoreovirus 1 | 1 |
| 24354322 | 10.1021/jm4014778 | Felid alphaherpesvirus 1 | 1 |
| 24354322 | 10.1021/jm4014778 | Punta Toro virus | 1 |
| 24354322 | 10.1021/jm4014778 | Influenza A virus | 1 |
| 24354322 | 10.1021/jm4014778 | Influenza A virus H3N2 | 1 |
| 24354322 | 10.1021/jm4014778 | Respiratory syncytial virus | 1 |
| 24354322 | 10.1021/jm4014778 | Human alphaherpesvirus 3 | 1 |
Data from ChEMBL 36 via Core Engine