Compound Detail
CHEMBL348270
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Basic Information
| ChEMBL ID | CHEMBL348270 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKMNLDWJDASMGY-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
3.86
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 6.39 | 6.39 | 410.0 | 4 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL2383 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL2991 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 410.0 | nM | 6.39 | In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH) | 14684297 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 410.0 | nM | 6.39 | Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogen... | 16143532 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 410.0 | nM | 6.39 | Inhibitory activity against recombinant human DHODH | 16246558 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 410.0 | nM | 6.39 | Inhibition of human DHODH | 33569941 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 1500.0 | nM | 5.82 | Inhibitory activity against rat dihydroorotate dehydrogenase | 16143532 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 4000.0 | nM | 5.4 | Inhibitory activity against mouse dihydroorotate dehydrogenase | 16143532 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16143532 | 10.1016/j.bmcl.2005.07.053 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 3 |
| 14684297 | 10.1016/j.bmcl.2003.10.021 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
| 16246558 | 10.1016/j.bmcl.2005.10.011 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
| 33569941 | 10.1021/acs.jmedchem.0c01901 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine