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

CHEMBL4469278

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(CC=C(C)C)c(O)c(C(CC(C)C)c2c(O)c(C=O)c(O)c(C(C)=O)c2O)c(O)c1C(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4469278
Phase Preclinical
Structure Type MOL
InChI Key RFBXFLBMNZGSFD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

514.6
MW (Da)
5.13
ALogP
9
HBA
5
HBD
161.6
PSA (Ų)
0.16
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C28H34O9
MW 514.57
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness 1.55

Literature References

PubMed DOI Target Context # Activities
31550158 10.1021/acs.jnatprod.9b00596 A549 1
31550158 10.1021/acs.jnatprod.9b00596 MDA-MB-231 1
31550158 10.1021/acs.jnatprod.9b00596 KB 1
31550158 10.1021/acs.jnatprod.9b00596 Unchecked 1

Data from ChEMBL 36 via Core Engine