Compound Detail
CHEMBL4557331
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Basic Information
| ChEMBL ID | CHEMBL4557331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQZLDSIAKAVCST-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
402.9
MW (Da)
4.84
ALogP
4
HBA
1
HBD
54.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.96 | 7.5 | 11.0 | 4 |
| HepG2 CHEMBL395 | IC50 | 4.43 | 4.43 | 36757.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 11.0 | nM | 7.96 | Antimalarial activity against multidrug-resistant Plasmodium falciparum Dd2 infe... | 30852885 |
| Plasmodium falciparum | IC50 | = | 30.0 | nM | 7.52 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 inf... | 30852885 |
| Plasmodium falciparum | IC50 | = | 32.0 | nM | 7.5 | Antimalarial activity against multidrug-resistant Plasmodium falciparum 7G8 infe... | 30852885 |
| Plasmodium falciparum | IC50 | = | 96.0 | nM | 7.02 | Antimalarial activity against atovaquone-resistant Plasmodium falciparum Tm90-C2... | 30852885 |
| HepG2 | IC50 | = | 36757.0 | nM | 4.43 | Cytotoxicity against human HepG2 cells measured after 24 to 36 hrs by resazurin ... | 30852885 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30852885 | 10.1021/acs.jmedchem.8b01961 | Plasmodium falciparum | 4 |
| 30852885 | 10.1021/acs.jmedchem.8b01961 | HepG2 | 1 |
| 30852885 | 10.1021/acs.jmedchem.8b01961 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine