Compound Detail
CHEMBL139699
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Basic Information
| ChEMBL ID | CHEMBL139699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBQFDZGBJMDIGH-VXPUYCOJSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
362.8
MW (Da)
4.42
ALogP
3
HBA
2
HBD
73.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL2991 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL2383 | IC50 | 4.75 | 4.75 | 17800.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 68.0 | hr | Mus musculus |
| T1/2 | 84.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 5000.0 | nM | 5.3 | Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse | 8917650 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 17800.0 | nM | 4.75 | Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in r... | 8917650 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8917650 | 10.1021/jm9604437 | Mus musculus | 2 |
| 8917650 | 10.1021/jm9604437 | Rattus norvegicus | 2 |
| 8917650 | 10.1021/jm9604437 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 2 |
Data from ChEMBL 36 via Core Engine