Compound Detail
CHEMBL598590
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CC(=O)c1c(O)c(Cc2c(O)c(C(C)=O)c(O)c(C(C)=O)c2O)c(O)c(C(C)=O)c1O
Basic Information
| ChEMBL ID | CHEMBL598590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQALYYVWRAPBOC-UHFFFAOYSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
432.4
MW (Da)
2.32
ALogP
10
HBA
6
HBD
189.7
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20137956 | 10.1016/j.bmc.2010.01.023 | Human immunodeficiency virus 1 | 2 |
| 20137956 | 10.1016/j.bmc.2010.01.023 | CCRF-CEM | 2 |
| 22342146 | 10.1016/j.bmcl.2012.01.089 | ACHN | 1 |
| 22342146 | 10.1016/j.bmcl.2012.01.089 | PANC-1 | 1 |
| 22342146 | 10.1016/j.bmcl.2012.01.089 | Calu-1 | 1 |
| 22342146 | 10.1016/j.bmcl.2012.01.089 | NCI-H460 | 1 |
| 22342146 | 10.1016/j.bmcl.2012.01.089 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine