Compound Detail
CHEMBL2170713
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COC(=O)c1cc(OC)c2c(c1)O[C@@]1(c3ccc(OC)cc3)[C@H](c3ccccc3)[C@@H](C(=O)OC)[C@@H](O)[C@@]21O
Basic Information
| ChEMBL ID | CHEMBL2170713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFGXGRUGXUDDMN-VBIJGHLJSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
520.5
MW (Da)
2.91
ALogP
9
HBA
2
HBD
120.8
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Eukaryotic initiation factor 4A-I CHEMBL2052028 | EC50 | 9.7 | 9.05 | 0.2 | 2 |
| MDA-MB-231 CHEMBL400 | EC50 | 9.52 | 9.52 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Eukaryotic initiation factor 4A-I | EC50 | = | 0.2 | nM | 9.7 | Inhibition of eIF4FA in human MDA-MB-231 cells transfected with c-myc- 5'-UTR-lu... | 23025805 |
| MDA-MB-231 | EC50 | = | 0.3 | nM | 9.52 | Growth inhibition of human MDA-MB-231 cells incubated for 72 hrs by MTS assay | 23025805 |
| Eukaryotic initiation factor 4A-I | EC50 | = | 4.0 | nM | 8.4 | Inhibition of eIF4FA in human MDA-MB-231 cells transfected with tubulin 5'-UTR-l... | 23025805 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23025805 | 10.1021/jm3011542 | Eukaryotic initiation factor 4A-I | 3 |
| 23025805 | 10.1021/jm3011542 | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine