Compound Detail
CHEMBL5956604
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Cc1nn(-c2cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3cccc(C(F)(F)F)c3)cc2F)c(=O)n1C(C)C
Basic Information
| ChEMBL ID | CHEMBL5956604 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFLJPCQTERMGAW-LBPRGKRZSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
534.4
MW (Da)
5.66
ALogP
6
HBA
1
HBD
78.2
PSA (Ų)
0.41
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 5.96 | 5.8 | 1100.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 1100.0 | nM | 5.96 | Enzymatic Assay: Assay 2: The enzymatic assay couples DHODH activity with bleach... | - |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 1100.0 | nM | 5.96 | Enzymatic Assay2: The enzymatic assay couples DHODH activity with bleaching of ... | - |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 2270.0 | nM | 5.64 | Enzymatic Assay: Assay 1: The enzymatic assay couples DHODH activity with bleach... | - |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 2270.0 | nM | 5.64 | Enzymatic Assay1: The enzymatic assay couples DHODH activity with bleaching of ... | - |
Data from ChEMBL 36 via Core Engine