Compound Detail
CHEMBL459822
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O=c1cc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12
Basic Information
| ChEMBL ID | CHEMBL459822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHNXUSWGOJMEFO-QNDFHXLGSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
448.4
MW (Da)
-0.24
ALogP
11
HBA
7
HBD
190.3
PSA (Ų)
0.28
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25987378 | 10.1016/j.bmcl.2015.04.052 | Unchecked | 4 |
| 11473417 | 10.1021/np0100845 | NON-PROTEIN TARGET | 3 |
| 25987378 | 10.1016/j.bmcl.2015.04.052 | ADMET | 3 |
| 25987378 | 10.1016/j.bmcl.2015.04.052 | Tyrosinase | 2 |
| 7623048 | 10.1021/np50119a013 | Tyrosinase | 1 |
| 19944611 | 10.1016/j.bmc.2009.11.015 | NON-PROTEIN TARGET | 1 |
| 25987378 | 10.1016/j.bmcl.2015.04.052 | Plasminogen | 1 |
| 25999202 | 10.1016/j.bmc.2015.04.053 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine