Compound Detail
CHEMBL5435472
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COc1cc(CC(=O)OCc2c(OC(C)C)ccc3c(C)c(Cc4cccc(F)c4)c(=O)oc23)cc(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL5435472 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJLBYPZKURZKBU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
564.6
MW (Da)
5.93
ALogP
8
HBA
0
HBD
93.4
PSA (Ų)
0.16
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780/Taxol CHEMBL4483224 | IC50 | 7.07 | 7.07 | 86.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780/Taxol | IC50 | = | 86.0 | nM | 7.07 | Reversal of multi-drug resistance in human A2780/Taxol cells incubated for 48 hr... | 36871374 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36871374 | 10.1016/j.ejmech.2023.115218 | A2780/Taxol | 3 |
Data from ChEMBL 36 via Core Engine