Compound Detail
CHEMBL3085153
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
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)c(Cl)c(OC)c1O
Basic Information
| ChEMBL ID | CHEMBL3085153 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZMCFYWOYIRWSO-LBBLGMBRSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
623.0
MW (Da)
1.99
ALogP
13
HBA
3
HBD
160.8
PSA (Ų)
0.42
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33035756 | 10.1016/j.bmc.2020.115773 | HCT-116 | 3 |
| 33035756 | 10.1016/j.bmc.2020.115773 | DNA topoisomerase 2-alpha | 3 |
| 1312600 | 10.1021/jm00083a009 | ADMET | 1 |
| 1312600 | 10.1021/jm00083a009 | DNA topoisomerase II | 1 |
| 1312600 | 10.1021/jm00083a009 | Nucleic Acid | 1 |
| 12014968 | 10.1021/jm0105427 | DNA topoisomerase II | 1 |
Data from ChEMBL 36 via Core Engine