Compound Detail
CHEMBL1332971
CLONIXIN 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL1332971 |
| Name | CLONIXIN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | CLOMYZFHNHFSIQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
6
Known Names
Molecular Properties
262.7
MW (Da)
3.49
ALogP
3
HBA
2
HBD
62.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of human recombinant DHODH | 27994748 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15781124 | 10.1016/j.pharmthera.2004.10.013 | UDP-glucuronosyltransferase 1A3 | 2 |
| 15781124 | 10.1016/j.pharmthera.2004.10.013 | UDP-glucuronosyltransferase 2B7 | 2 |
| - | 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 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine