Compound Detail
CHEMBL5945038
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C[C@H](O)c1nn(-c2cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(Cl)cccc3Cl)cc2F)c(=O)n1C
Basic Information
| ChEMBL ID | CHEMBL5945038 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BADANXSBRNPYCM-UWVGGRQHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
537.3
MW (Da)
4.65
ALogP
7
HBA
2
HBD
98.4
PSA (Ų)
0.45
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 8.46 | 8.46 | 3.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 3.5 | nM | 8.46 | Enzymatic Assay: Assay 1: The enzymatic assay couples DHODH activity with bleach... | - |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 3.5 | nM | 8.46 | Enzymatic Assay1: The enzymatic assay couples DHODH activity with bleaching of ... | - |
Data from ChEMBL 36 via Core Engine