Compound Detail
CHEMBL4562828
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4562828 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLYZKSLDJNPZKX-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
391.3
MW (Da)
4.85
ALogP
3
HBA
1
HBD
45.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.32 | 6.476 | 48.0 | 5 |
| HepG2 CHEMBL395 | IC50 | 4.32 | 4.32 | 47608.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 48.0 | nM | 7.32 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 inf... | 30852885 |
| Plasmodium falciparum | IC50 | = | 172.0 | nM | 6.76 | Antimalarial activity against multidrug-resistant Plasmodium falciparum Dd2 infe... | 30852885 |
| Plasmodium falciparum | IC50 | = | 368.0 | nM | 6.43 | Antimalarial activity against atovaquone-resistant Plasmodium falciparum Tm90-C2... | 30852885 |
| Plasmodium falciparum | IC50 | = | 440.0 | nM | 6.36 | Antimalarial activity against multidrug-resistant Plasmodium falciparum 7G8 infe... | 30852885 |
| Plasmodium falciparum | IC50 | = | 3113.0 | nM | 5.51 | Antimalarial activity against drug-resistant Plasmodium falciparum Dd2 harboring... | 30852885 |
| HepG2 | IC50 | = | 47608.0 | nM | 4.32 | 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 | 9 |
| 30852885 | 10.1021/acs.jmedchem.8b01961 | Unchecked | 2 |
| 30852885 | 10.1021/acs.jmedchem.8b01961 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine