Compound Detail
CHEMBL2011645
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C=C(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1Oc2cc(C(C)=O)c(O)cc2[C@@H]1OC
Basic Information
| ChEMBL ID | CHEMBL2011645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCYVAILUHNGMEE-NXZWVFBWSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
426.4
MW (Da)
-0.58
ALogP
10
HBA
5
HBD
155.1
PSA (Ų)
0.28
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22264115 | 10.1021/np200646e | No relevant target | 1 |
| 22264115 | 10.1021/np200646e | Aldo-keto reductase family 1 member B1 | 1 |
Data from ChEMBL 36 via Core Engine