Compound Detail
CHEMBL3759599
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Basic Information
| ChEMBL ID | CHEMBL3759599 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRQKKSDHSTWOGY-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
412.0
MW (Da)
6.27
ALogP
3
HBA
2
HBD
37.0
PSA (Ų)
0.50
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.29 | 6.8733 | 51.0 | 3 |
| HepG2 CHEMBL395 | IC50 | 5.79 | 5.79 | 1612.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 51.0 | nM | 7.29 | Antimalarial activity against chloroquine-susceptible Plasmodium falciparum D6 a... | 26640981 |
| Plasmodium falciparum | IC50 | = | 165.0 | nM | 6.78 | Antimalarial activity against mutidrug resistant Plasmodium falciparum TM91C235 ... | 26640981 |
| Plasmodium falciparum | IC50 | = | 282.0 | nM | 6.55 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 aft... | 26640981 |
| HepG2 | IC50 | = | 1612.0 | nM | 5.79 | Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay | 26640981 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26640981 | 10.1021/acs.jmedchem.5b01374 | Plasmodium falciparum | 3 |
| 26640981 | 10.1021/acs.jmedchem.5b01374 | HepG2 | 1 |
| 26640981 | 10.1021/acs.jmedchem.5b01374 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine