Compound Detail
CHEMBL4562798
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Basic Information
| ChEMBL ID | CHEMBL4562798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXGRGFAUSGQGOC-ONGXEEELSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
312.2
MW (Da)
1.13
ALogP
4
HBA
2
HBD
76.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.44 | 6.38 | 360.0 | 4 |
| HMEC-1 CHEMBL4296433 | IC50 | 4.83 | 4.83 | 14900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 360.0 | nM | 6.44 | Antimalarial activity against CQ-susceptible Plasmodium falciparum D10 infected ... | 30996801 |
| Plasmodium falciparum | IC50 | = | 360.0 | nM | 6.44 | Antimalarial activity against chloroquine sensitive Plasmodium falciparum D10 in... | 34795860 |
| Plasmodium falciparum | IC50 | = | 480.0 | nM | 6.32 | Antimalarial activity against CQ-resistant Plasmodium falciparum W2 infected in ... | 30996801 |
| Plasmodium falciparum | IC50 | = | 480.0 | nM | 6.32 | Antimalarial activity against chloroquine resistant Plasmodium falciparum W2 inf... | 34795860 |
| HMEC-1 | IC50 | = | 14900.0 | nM | 4.83 | Cytotoxicity in human HMEC1 cells assessed as reduction in cell viability incuba... | 30996801 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30996801 | 10.1021/acsmedchemlett.8b00592 | Unchecked | 5 |
| 30996801 | 10.1021/acsmedchemlett.8b00592 | Plasmodium falciparum | 2 |
| 34795860 | 10.1021/acsmedchemlett.1c00354 | Plasmodium falciparum | 2 |
| 30996801 | 10.1021/acsmedchemlett.8b00592 | HMEC-1 | 1 |
| 34795860 | 10.1021/acsmedchemlett.1c00354 | Leishmania infantum | 1 |
| 34795860 | 10.1021/acsmedchemlett.1c00354 | Leishmania tropica | 1 |
Data from ChEMBL 36 via Core Engine