Compound Detail
CHEMBL474004
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Basic Information
| ChEMBL ID | CHEMBL474004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLVVNGWNXBLVMA-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
1
Known Names
Molecular Properties
243.2
MW (Da)
2.32
ALogP
5
HBA
1
HBD
55.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.3
IC50 1 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase CHEMBL3486 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
| Plasmodium falciparum CHEMBL364 | EC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of Plasmodium falciparum DHODH | 19296651 |
| Plasmodium falciparum | EC50 | = | 50000.0 | nM | 4.3 | Antiplasmodial activity against Plasmodium falciparum 3D7 by [3H]hypoxanthine up... | 19296651 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19296651 | 10.1021/jm801343r | Plasmodium berghei | 1 |
| 19296651 | 10.1021/jm801343r | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
| 19296651 | 10.1021/jm801343r | Plasmodium falciparum | 1 |
| 19296651 | 10.1021/jm801343r | Dihydroorotate dehydrogenase | 1 |
| 33280384 | 10.1021/acs.jmedchem.0c01741 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine