Compound Detail
CHEMBL347114
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C=C(C)[C@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@]2(C)C3=O)O1
Basic Information
| ChEMBL ID | CHEMBL347114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLHKIXGZXNYDJB-JKHABCDFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
408.4
MW (Da)
3.88
ALogP
6
HBA
0
HBD
63.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NADH-ubiquinone oxidoreductase chain 4 CHEMBL4499 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NADH-ubiquinone oxidoreductase chain 4 | IC50 | = | 17.0 | nM | 7.77 | 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