Compound Detail
CHEMBL487518
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL487518 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMQCQQGZRWJBCI-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
291.3
MW (Da)
3.04
ALogP
6
HBA
2
HBD
75.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.89
IC50 2 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase CHEMBL3486 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
| Plasmodium falciparum CHEMBL364 | EC50 | 5.89 | 5.88 | 1292.0 | 2 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase | IC50 | = | 330.0 | nM | 6.48 | Inhibition of Plasmodium falciparum DHODH assessed as reduction of 2,6-dichloroi... | 18522386 |
| Plasmodium falciparum | EC50 | = | 1292.0 | nM | 5.89 | NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation ... | 18579783 |
| Plasmodium falciparum | EC50 | = | 1345.0 | nM | 5.87 | NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferati... | 18579783 |
| Plasmodium falciparum | IC50 | = | 1700.0 | nM | 5.77 | Antiplasmodial activity against Plasmodium falciparum 3D7 in erythrocytes as [3H... | 18522386 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18579783 | 10.1073/pnas.0802982105 | Plasmodium falciparum | 2 |
| 18522386 | 10.1021/jm8001026 | Dihydroorotate dehydrogenase | 1 |
| 18522386 | 10.1021/jm8001026 | Plasmodium falciparum | 1 |
| 18522386 | 10.1021/jm8001026 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Huh-7 | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Unchecked | 1 |
| 22096101 | 10.1126/science.1211936 | Plasmodium yoelii | 1 |
Data from ChEMBL 36 via Core Engine