Compound Detail
CHEMBL1685070
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C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)[C@H](O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL1685070 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYGPBZVKGHHTIE-HUBYJIGHSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
578.5
MW (Da)
-1.06
ALogP
14
HBA
9
HBD
240.0
PSA (Ų)
0.18
QED
3
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21354800 | 10.1016/j.bmc.2010.12.043 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 2 |
| 21354800 | 10.1016/j.bmc.2010.12.043 | A2780 | 1 |
| 21354800 | 10.1016/j.bmc.2010.12.043 | MCF7 | 1 |
| 21354800 | 10.1016/j.bmc.2010.12.043 | Unchecked | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Acetylcholinesterase | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Cholinesterase | 1 |
| 34157392 | 10.1016/j.bmcl.2021.128211 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine