Compound Detail
CHEMBL1794895
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C=C(C)[C@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@@]2(C)C3=O)O1.C=C(C)[C@H]1Cc2c(ccc3c2O[C@H]2COc4cc(OC)c(OC)cc4[C@]2(C)C3=O)O1
Basic Information
| ChEMBL ID | CHEMBL1794895 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUNJBMHGUQNSCK-NAUFYFGESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
816.9
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NADH-ubiquinone oxidoreductase chain 4 CHEMBL4499 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NADH-ubiquinone oxidoreductase chain 4 | IC50 | = | 360.0 | nM | 6.44 | The compound was evaluated for the inhibition of NADH dehydrogenase | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81204-X | ADMET | 2 |
| - | 10.1016/S0960-894X(01)81204-X | NADH-ubiquinone oxidoreductase chain 4 | 1 |
Data from ChEMBL 36 via Core Engine