Compound Detail
CHEMBL200536
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Basic Information
| ChEMBL ID | CHEMBL200536 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBJZKXXWFJLNRR-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
291.3
MW (Da)
3.79
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.86
Ki 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | Ki | 5.75 | 5.75 | 1800.0 | 1 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 4.86 | 4.86 | 13800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | Ki | = | 1800.0 | nM | 5.75 | Binding affinity to human DHODH | 16236496 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 13800.0 | nM | 4.86 | Binding affinity to human DHODH | 16236496 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16236496 | 10.1016/j.bmcl.2005.09.045 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 2 |
| 16236496 | 10.1016/j.bmcl.2005.09.045 | Dihydroorotate dehydrogenase | 2 |
Data from ChEMBL 36 via Core Engine