Compound Detail
CHEMBL1801949
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COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)[C@H](O)/C=C/C[C@H](C)OC2=O
Basic Information
| ChEMBL ID | CHEMBL1801949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPOLRDGTYHVUAY-OURSJTMWSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
1.39
ALogP
7
HBA
4
HBD
116.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21513293 | 10.1021/np200062x | MCF7 | 1 |
| 21513293 | 10.1021/np200062x | NCI-H460 | 1 |
| 21513293 | 10.1021/np200062x | SF-268 | 1 |
| 21513293 | 10.1021/np200062x | HT-29 | 1 |
| 21513293 | 10.1021/np200062x | MDA-MB-435 | 1 |
| 21513293 | 10.1021/np200062x | Transcription factor p65 | 1 |
| 21513293 | 10.1021/np200062x | Escherichia coli | 1 |
| 21513293 | 10.1021/np200062x | Staphylococcus aureus | 1 |
| 21513293 | 10.1021/np200062x | Mycolicibacterium smegmatis | 1 |
| 21513293 | 10.1021/np200062x | Bacillus subtilis | 1 |
Data from ChEMBL 36 via Core Engine