Compound Detail
CHEMBL1087506
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COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC(=O)c3ccccc3)cc2)ccc1OC(=O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL1087506 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVMBVRZLGDVLTO-PWDIZTEBSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
546.6
MW (Da)
6.39
ALogP
7
HBA
0
HBD
96.0
PSA (Ų)
0.09
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20004045 | 10.1016/j.ejmech.2009.11.035 | Trypanosoma brucei brucei | 3 |
| 20004045 | 10.1016/j.ejmech.2009.11.035 | Leishmania major | 1 |
| 20004045 | 10.1016/j.ejmech.2009.11.035 | Leishmania mexicana | 1 |
| 20004045 | 10.1016/j.ejmech.2009.11.035 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine