Compound Detail
CHEMBL5969863
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CCC[C@H](C)Oc1cc(-n2nc(C(C)(C)O)n(C)c2=O)c(F)cc1C(=O)NC(CC)CC
Basic Information
| ChEMBL ID | CHEMBL5969863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFJAXBJQROFGKG-AWEZNQCLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
450.6
MW (Da)
3.42
ALogP
7
HBA
2
HBD
98.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 7.89 | 7.89 | 13.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 13.0 | nM | 7.89 | Enzymatic Assay: Assay 1: The enzymatic assay couples DHODH activity with bleach... | - |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 13.0 | nM | 7.89 | Enzymatic Assay1: The enzymatic assay couples DHODH activity with bleaching of ... | - |
Data from ChEMBL 36 via Core Engine