Compound Detail
CHEMBL5922631
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CCC[C@H](C)Oc1cc(-n2nc(CC)n(C)c2=O)c(F)cc1C(=O)Nc1c(C)cc(C)cc1N
Basic Information
| ChEMBL ID | CHEMBL5922631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQYWGJWPYUJHQW-INIZCTEOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
469.6
MW (Da)
4.29
ALogP
7
HBA
2
HBD
104.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 6.82 | 6.82 | 152.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 152.0 | nM | 6.82 | Enzymatic Assay: Assay 2: The enzymatic assay couples DHODH activity with bleach... | - |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 152.0 | nM | 6.82 | Enzymatic Assay2: The enzymatic assay couples DHODH activity with bleaching of ... | - |
Data from ChEMBL 36 via Core Engine