Compound Detail
CHEMBL2234191
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Basic Information
| ChEMBL ID | CHEMBL2234191 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWEMUPBSFQCOSI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
292.3
MW (Da)
4.49
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Dihydroorotate dehydrogenase CHEMBL3486 | IC50 | 6.6 | 6.6 | 251.2 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 20.0 | nM | 7.7 | Inhibition of Plasmodium falciparum DHODH | 27721149 |
| Dihydroorotate dehydrogenase | IC50 | = | 251.19 | nM | 6.6 | Inhibition of Plasmodium falciparum HIs6-tagged DHODH expressed in Escherichia c... | - |
| Plasmodium falciparum | IC50 | = | 5000.0 | nM | 5.3 | Antiparasitic activity against Plasmodium falciparum NF54 infected in human eryt... | 27721149 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27721149 | 10.1016/j.ejmech.2016.09.085 | Unchecked | 2 |
| - | 10.1007/s00044-010-9323-4 | Dihydroorotate dehydrogenase | 1 |
| 27721149 | 10.1016/j.ejmech.2016.09.085 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine