Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1782243

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1c(OC(C)=O)cc2oc3cc(OC(C)=O)c(CC=C(C)C)c(OC(C)=O)c3c(=O)c2c1CC=C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1782243
Phase Preclinical
Structure Type MOL
InChI Key XGJHNMLLMGPBFT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

536.6
MW (Da)
5.75
ALogP
9
HBA
0
HBD
118.3
PSA (Ų)
0.15
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H32O9
MW 536.58
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness 1.42

Literature References

PubMed DOI Target Context # Activities
36940608 10.1016/j.bmc.2023.117232 Staphylococcus aureus 5
21428375 10.1021/np200051j HT-29 2
21428375 10.1021/np200051j Transcription factor p65 1
36940608 10.1016/j.bmc.2023.117232 Escherichia coli 1
36940608 10.1016/j.bmc.2023.117232 Salmonella enteritidis 1
36940608 10.1016/j.bmc.2023.117232 Unchecked 1
36940608 10.1016/j.bmc.2023.117232 A549 1
36940608 10.1016/j.bmc.2023.117232 L02 1

Data from ChEMBL 36 via Core Engine