Compound Detail
CHEMBL4557830
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Basic Information
| ChEMBL ID | CHEMBL4557830 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDLFZCDEGAWEFX-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
358.3
MW (Da)
3.70
ALogP
6
HBA
1
HBD
68.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.85
IC50 1 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 7.85 | 7.85 | 14.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 14.0 | nM | 7.85 | Antimalarial activity against Plasmodium falciparum 3D70087/N9 infected in po do... | 32248693 |
| Unchecked | IC50 | = | 14.0 | nM | 7.85 | Inhibition of Plasmodium falciparum DHODH expressed in Escherichia coli by DCIP ... | 30703745 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32248693 | 10.1021/acs.jmedchem.0c00311 | Plasmodium falciparum | 4 |
| 30703745 | 10.1016/j.ejmech.2019.01.027 | ADMET | 3 |
| 30703745 | 10.1016/j.ejmech.2019.01.027 | No relevant target | 2 |
| 30703745 | 10.1016/j.ejmech.2019.01.027 | Unchecked | 1 |
| 30703745 | 10.1016/j.ejmech.2019.01.027 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
| 32248693 | 10.1021/acs.jmedchem.0c00311 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine