Compound Detail
CHEMBL4539458
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Basic Information
| ChEMBL ID | CHEMBL4539458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOYQPBRMYNLOMN-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
316.2
MW (Da)
2.42
ALogP
5
HBA
2
HBD
84.6
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.57
IC50 1 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase CHEMBL3486 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| Plasmodium falciparum CHEMBL364 | EC50 | 4.57 | 4.57 | 26700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of Plasmodium falciparum recombinant N-terminal His6-tagged DHODH (15... | 30529545 |
| Plasmodium falciparum | EC50 | = | 26700.0 | nM | 4.57 | Anti-plasmodial activity against synchronized ring stage Plasmodium falciparum 3... | 30529545 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30529545 | 10.1016/j.ejmech.2018.11.044 | COS-7 | 1 |
| 30529545 | 10.1016/j.ejmech.2018.11.044 | Plasmodium falciparum | 1 |
| 30529545 | 10.1016/j.ejmech.2018.11.044 | Unchecked | 1 |
| 30529545 | 10.1016/j.ejmech.2018.11.044 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
| 30529545 | 10.1016/j.ejmech.2018.11.044 | Dihydroorotate dehydrogenase | 1 |
Data from ChEMBL 36 via Core Engine