Compound Detail
CHEMBL5177195
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Basic Information
| ChEMBL ID | CHEMBL5177195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLLYTTZEMXVBBJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
4.85
ALogP
4
HBA
1
HBD
48.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium vivax CHEMBL613013 | EC50 | 9.3 | 9.3 | 0.5 | 1 |
| Plasmodium falciparum CHEMBL364 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
| HepG2 CHEMBL395 | EC50 | 4.39 | 4.39 | 41000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium vivax | EC50 | = | 0.5 | nM | 9.3 | Antimalarial activity against Plasmodium vivax | 33131885 |
| Plasmodium falciparum | EC50 | = | 1.0 | nM | 9.0 | Antimalarial activity against Plasmodium falciparum 3D7 | 33131885 |
| HepG2 | EC50 | = | 41000.0 | nM | 4.39 | Cytotoxicity against human HepG2 cells | 33131885 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33131885 | 10.1016/j.ejmech.2020.112955 | Plasmodium falciparum | 2 |
| 33131885 | 10.1016/j.ejmech.2020.112955 | No relevant target | 1 |
| 33131885 | 10.1016/j.ejmech.2020.112955 | HepG2 | 1 |
| 33131885 | 10.1016/j.ejmech.2020.112955 | Plasmodium vivax | 1 |
Data from ChEMBL 36 via Core Engine