Compound Detail
CHEMBL4546952
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Basic Information
| ChEMBL ID | CHEMBL4546952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKCMDEWZFISKHC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
323.3
MW (Da)
2.72
ALogP
6
HBA
2
HBD
84.9
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 5.98 | 5.98 | 1050.0 | 1 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL4523950 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 1050.0 | nM | 5.98 | Inhibition of human DHODH using DHO as substrate measured at 4 secs interval for... | 30776695 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 2100.0 | nM | 5.68 | 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 |
| 30776695 | 10.1016/j.ejmech.2019.02.018 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine