Compound Detail
CHEMBL1962575
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Basic Information
| ChEMBL ID | CHEMBL1962575 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLLMQAJIHXLHER-UHFFFAOYSA-N |
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
345.6
MW (Da)
5.25
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.43
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.79 | 6.7325 | 162.0 | 4 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.12 | 5.315 | 750.0 | 2 |
| HepG2 CHEMBL395 | IC50 | 5.32 | 5.32 | 4830.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.15 | 5.15 | 7030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 162.0 | nM | 6.79 | Antiplasmodial activity against chloroquine/mefloquine-resistant Plasmodium falc... | 25747499 |
| Plasmodium falciparum | IC50 | = | 171.2 | nM | 6.77 | Antiplasmodial activity against chloroquine/mefloquine-resistant Plasmodium falc... | 25747499 |
| Plasmodium falciparum | IC50 | = | 181.8 | nM | 6.74 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 | 25747499 |
| Plasmodium falciparum | IC50 | = | 232.3 | nM | 6.63 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 | 25747499 |
| NON-PROTEIN TARGET | IC50 | = | 750.0 | nM | 6.12 | Cytotoxicity against human MOLT3 cells by XTT assay | 25747499 |
| HepG2 | IC50 | = | 4830.0 | nM | 5.32 | Cytotoxicity against human HepG2 cells by MTT assay | 25747499 |
| A549 | IC50 | = | 7030.0 | nM | 5.15 | Cytotoxicity against human A549 cells by MTT assay | 25747499 |
| NON-PROTEIN TARGET | IC50 | = | 30790.0 | nM | 4.51 | Cytotoxicity against human HuCCa1 cells by MTT assay | 25747499 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25747499 | 10.1016/j.ejmech.2015.02.047 | Unchecked | 5 |
| 25747499 | 10.1016/j.ejmech.2015.02.047 | Plasmodium falciparum | 4 |
| 25747499 | 10.1016/j.ejmech.2015.02.047 | MRC5 | 2 |
| 25747499 | 10.1016/j.ejmech.2015.02.047 | HepG2 | 2 |
| 25747499 | 10.1016/j.ejmech.2015.02.047 | NON-PROTEIN TARGET | 2 |
| 25747499 | 10.1016/j.ejmech.2015.02.047 | A549 | 2 |
| 25747499 | 10.1016/j.ejmech.2015.02.047 | MOLT-3 | 1 |
Data from ChEMBL 36 via Core Engine