Compound Detail
CHEMBL6021562
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Basic Information
| ChEMBL ID | CHEMBL6021562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNWUTBGUIPWEEP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
4.15
ALogP
6
HBA
1
HBD
78.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 7.03 | 7.03 | 92.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 92.9 | nM | 7.03 | Enzymatic Assay: Assay 2: The enzymatic assay couples DHODH activity with bleach... | - |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 92.9 | nM | 7.03 | Enzymatic Assay2: The enzymatic assay couples DHODH activity with bleaching of ... | - |
Data from ChEMBL 36 via Core Engine