Compound Detail
CHEMBL475814
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 | CHEMBL475814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXYDLVAOXASTMW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
4.48
ALogP
5
HBA
1
HBD
55.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase CHEMBL3486 | IC50 | 7.25 | 7.25 | 56.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 37.0 | mL.min-1.g-1 | Homo sapiens |
| T1/2 | 0.7167 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase | IC50 | = | 56.0 | nM | 7.25 | Inhibition of Plasmodium falciparum DHODH assessed as reduction of 2,6-dichloroi... | 18522386 |
| Plasmodium falciparum | IC50 | = | 190.0 | nM | 6.72 | Antiplasmodial activity against Plasmodium falciparum 3D7 in erythrocytes as [3H... | 18522386 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19296651 | 10.1021/jm801343r | Mus musculus | 3 |
| 19296651 | 10.1021/jm801343r | Liver microsomes | 2 |
| 19296651 | 10.1021/jm801343r | Plasmodium berghei | 1 |
| 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