Compound Detail
CHEMBL484305
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Basic Information
| ChEMBL ID | CHEMBL484305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVJXULJLNCBDTN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
307.3
MW (Da)
2.59
ALogP
7
HBA
1
HBD
85.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
| Dihydroorotate dehydrogenase CHEMBL3486 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 410.0 | nM | 6.39 | Antiplasmodial activity against Plasmodium falciparum 3D7 in erythrocytes as [3H... | 18522386 |
| Dihydroorotate dehydrogenase | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of Plasmodium falciparum DHODH assessed as reduction of 2,6-dichloroi... | 18522386 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18522386 | 10.1021/jm8001026 | Dihydroorotate dehydrogenase | 1 |
| 18522386 | 10.1021/jm8001026 | Plasmodium falciparum | 1 |
| 18522386 | 10.1021/jm8001026 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine