Compound Detail
CHEMBL154493
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Basic Information
| ChEMBL ID | CHEMBL154493 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTKBCQCRHRCICI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
409.3
MW (Da)
4.89
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 6.55 | 6.55 | 280.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 280.0 | nM | 6.55 | In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH) | 14684297 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 280.0 | nM | 6.55 | Inhibitory activity against human DHODH | 16480261 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14684297 | 10.1016/j.bmcl.2003.10.021 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
| 16480261 | 10.1021/jm0506975 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine