Compound Detail
CHEMBL4796372
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COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@H]2C[C@H](O)[C@H](O)[C@H](C)O2)[C@H](C)O1
Basic Information
| ChEMBL ID | CHEMBL4796372 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDKNKONQTRIQSW-IEALUYQASA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
673.7
MW (Da)
-0.12
ALogP
15
HBA
7
HBD
244.8
PSA (Ų)
0.16
QED
3
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33064004 | 10.1021/acs.jmedchem.0c01191 | DNA | 2 |
| 33064004 | 10.1021/acs.jmedchem.0c01191 | Unchecked | 1 |
| 33064004 | 10.1021/acs.jmedchem.0c01191 | K562 | 1 |
| 33064004 | 10.1021/acs.jmedchem.0c01191 | MEL-JUSO | 1 |
| 33064004 | 10.1021/acs.jmedchem.0c01191 | HCT-116 | 1 |
| 33064004 | 10.1021/acs.jmedchem.0c01191 | PC-3 | 1 |
| 33064004 | 10.1021/acs.jmedchem.0c01191 | DU-145 | 1 |
| 33064004 | 10.1021/acs.jmedchem.0c01191 | U-87 MG | 1 |
| 33064004 | 10.1021/acs.jmedchem.0c01191 | ADMET | 1 |
| 33064004 | 10.1021/acs.jmedchem.0c01191 | DNA topoisomerase 2-alpha | 1 |
Data from ChEMBL 36 via Core Engine