Compound Detail
CHEMBL4226072
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CCOC(=O)c1c(C(=O)OCC)c(-c2ccc3c(c2)OCO3)c2cc(OC)c(OC)cc2c1O[C@@H]1OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
Basic Information
| ChEMBL ID | CHEMBL4226072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZOZJXVTZGCMTN-VHISSRMDSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
726.7
MW (Da)
4.14
ALogP
16
HBA
0
HBD
186.9
PSA (Ų)
0.19
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29656990 | 10.1016/j.bmc.2018.03.033 | HT-29 | 1 |
| 29656990 | 10.1016/j.bmc.2018.03.033 | OVCAR-3 | 1 |
| 29656990 | 10.1016/j.bmc.2018.03.033 | MDA-MB-435 | 1 |
| 29656990 | 10.1016/j.bmc.2018.03.033 | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine