Compound Detail
CHEMBL5075396
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COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H](OC(=O)c1ccc(F)c(NC(=O)c3ccc(OC)c(OCCO)c3)c1)C2
Basic Information
| ChEMBL ID | CHEMBL5075396 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYSUAMHNSROBTG-KKLWWLSJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
707.7
MW (Da)
5.40
ALogP
12
HBA
2
HBD
149.5
PSA (Ų)
0.16
QED
3
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.99 | 7.99 | 10.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 10.2 | nM | 7.99 | Reversal of Pgp-mediated paclitaxel resistance in human LCC6MDR cells assessed a... | 34597896 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34597896 | 10.1016/j.ejmech.2021.113795 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine