Compound Detail
CHEMBL5085855
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COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2ccc3cccc(O)c3c12
Basic Information
| ChEMBL ID | CHEMBL5085855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLTGYUHWCZSXHG-CMWLGVBASA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
402.4
MW (Da)
0.89
ALogP
8
HBA
5
HBD
128.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.19
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 65.0 | nM | 7.19 | Inhibition of pyruvate carboxylase in human HCCLM3 cell lysate measured upto 24 ... | 34931827 |
| Unchecked | IC50 | = | 97.0 | nM | 7.01 | Inhibition of pyruvate carboxylase in human HCCLM3 cells measured upto 24 hrs by... | 34931827 |
| HepG2 | IC50 | = | 2660.0 | nM | 5.58 | Antiproliferative activity against human HepG2 cells assessed as inhibition of c... | 34931827 |
| Unchecked | IC50 | = | 29942.0 | nM | 4.52 | Antiproliferative activity against human HCCLM3 cells assessed as inhibition of ... | 34931827 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34931827 | 10.1021/acs.jmedchem.1c01605 | Unchecked | 3 |
| 34931827 | 10.1021/acs.jmedchem.1c01605 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine