Compound Detail
CHEMBL1617398
FLUNIXIN 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL1617398 |
| Name | FLUNIXIN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | NOOCSNJCXJYGPE-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
5
Known Names
Molecular Properties
296.2
MW (Da)
3.85
ALogP
3
HBA
2
HBD
62.2
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 2 meas. best 6.1
EC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 6.1 | 6.1 | 797.6 | 1 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| Molecular identity unknown CHEMBL612546 | EC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 797.6 | nM | 6.1 | Determination of IC50 values for inhibition of enzymatic assay of human HDAC6 wi... | - |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of human recombinant DHODH | 27994748 |
| Molecular identity unknown | EC50 | = | 16000.0 | nM | 4.8 | Induction of bone marrow cell differentiation isolated from ER-HOXA9 fusion prot... | 27994748 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 4 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 27994748 | 10.1021/acsmedchemlett.6b00316 | Molecular identity unknown | 1 |
| 27994748 | 10.1021/acsmedchemlett.6b00316 | U-937 | 1 |
| 27994748 | 10.1021/acsmedchemlett.6b00316 | THP-1 | 1 |
| 27994748 | 10.1021/acsmedchemlett.6b00316 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine