Compound Detail
CHEMBL3754203
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COc1c(OC/C=C(\C)CC/C=C(\C)CCC=C(C)C)cc(O)c2c(=O)cc(-c3ccccc3)oc12
Basic Information
| ChEMBL ID | CHEMBL3754203 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOZSHIGGEZXRHX-FQLUOEGPSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
488.6
MW (Da)
7.97
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.28
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00163C | SW480 | 1 |
| - | 10.1039/C5MD00163C | HT-29 | 1 |
| - | 10.1039/C5MD00163C | NON-PROTEIN TARGET | 1 |
| - | 10.1039/C5MD00163C | HepG2 | 1 |
| - | 10.1039/C5MD00163C | ADMET | 1 |
Data from ChEMBL 36 via Core Engine