Compound Detail
CHEMBL5284106
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
C[C@@H]1O[C@@H](O[C@H]2CC[C@H](O[C@@]3(C)CC(=O)[C@]4(O)C5=C(C=C[C@]4(O)C3)C(=O)c3c(ccc([C@H]4C[C@H]6O[C@H]7CC(=O)[C@H](C)O[C@@H]7O[C@@H]6[C@@H](C)O4)c3O)C5=O)O[C@H]2C)C=CC1=O
Basic Information
| ChEMBL ID | CHEMBL5284106 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUQKUPKWGZHYBN-OESLOERRSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
820.8
MW (Da)
2.72
ALogP
16
HBA
3
HBD
219.9
PSA (Ų)
0.39
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.48
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SMMC-7721 | IC50 | = | 33.0 | nM | 7.48 | Cytotoxicity against human SMMC-7721 cells by SRB assay | 34128674 |
| HepG2 | IC50 | = | 135.0 | nM | 6.87 | Cytotoxicity against human HepG2 cells by SRB assay | 34128674 |
| PLC-PRF-5 | IC50 | = | 244.0 | nM | 6.61 | Cytotoxicity against human PLC-PRF-5 cells by SRB assay | 34128674 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34128674 | 10.1021/acs.jmedchem.0c02026 | HepG2 | 1 |
| 34128674 | 10.1021/acs.jmedchem.0c02026 | SMMC-7721 | 1 |
| 34128674 | 10.1021/acs.jmedchem.0c02026 | PLC-PRF-5 | 1 |
Data from ChEMBL 36 via Core Engine