Compound Detail
CHEMBL5411745
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COc1ccc(Cc2c(C)c3ccc(OC(C)C)c(COC(=O)Cc4cc(OC)c(OC)c(OC)c4)c3oc2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL5411745 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBOLOVDVIQEZLW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
576.6
MW (Da)
5.80
ALogP
9
HBA
0
HBD
102.7
PSA (Ų)
0.15
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780/Taxol CHEMBL4483224 | IC50 | 7.03 | 7.03 | 94.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780/Taxol | IC50 | = | 94.0 | nM | 7.03 | 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