Compound Detail
CHEMBL2011643
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CC1=CC[C@@H](O)[C@]2(C)[C@@H](OC(=O)/C=C/c3ccc(O)cc3)C[C@@H](C(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL2011643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYIRTYWAWSCPCM-RQDXIEOQSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
562.7
MW (Da)
1.51
ALogP
10
HBA
6
HBD
166.1
PSA (Ų)
0.16
QED
2
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