Compound Detail
CHEMBL4469013
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Basic Information
| ChEMBL ID | CHEMBL4469013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOKMDDMDJRQPFK-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
379.3
MW (Da)
4.76
ALogP
3
HBA
2
HBD
54.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.97 | 6.4675 | 106.0 | 4 |
| HepG2 CHEMBL395 | IC50 | 4.42 | 4.42 | 38367.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 106.0 | nM | 6.97 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 inf... | 30852885 |
| Plasmodium falciparum | IC50 | = | 139.0 | nM | 6.86 | Antimalarial activity against multidrug-resistant Plasmodium falciparum Dd2 infe... | 30852885 |
| Plasmodium falciparum | IC50 | = | 295.0 | nM | 6.53 | Antimalarial activity against multidrug-resistant Plasmodium falciparum 7G8 infe... | 30852885 |
| Plasmodium falciparum | IC50 | = | 3070.0 | nM | 5.51 | Antimalarial activity against drug-resistant Plasmodium falciparum Dd2 harboring... | 30852885 |
| HepG2 | IC50 | = | 38367.0 | nM | 4.42 | 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