Compound Detail
CHEMBL2023282
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Basic Information
| ChEMBL ID | CHEMBL2023282 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEGPCZRXAITNKB-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
4.39
ALogP
5
HBA
0
HBD
77.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL4523950 | IC50 | 4.5 | 4.5 | 31400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 7900.0 | nM | 5.1 | Inhibition of human DHODH using DHO as substrate measured at 4 secs interval for... | 30776695 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 31400.0 | nM | 4.5 | Inhibition of Schistosoma mansoni DHODH using DHO as substrate measured at 4 sec... | 30776695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30776695 | 10.1016/j.ejmech.2019.02.018 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 3 |
| 22483633 | 10.1016/j.ejmech.2012.03.039 | Trypanosoma cruzi | 1 |
| 30776695 | 10.1016/j.ejmech.2019.02.018 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine