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Compound Detail

CHEMBL3589828

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COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2OC(C(=O)O)C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3589828
Phase Preclinical
Structure Type MOL
InChI Key OXAXIZSICMWYNJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

470.4
MW (Da)
3.31
ALogP
8
HBA
4
HBD
163.7
PSA (Ų)
0.28
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22O10
MW 470.43
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness 1.39

Literature References

PubMed DOI Target Context # Activities
26079090 10.1016/j.ejmech.2015.06.006 NON-PROTEIN TARGET 1
26079090 10.1016/j.ejmech.2015.06.006 MCF7 1
26079090 10.1016/j.ejmech.2015.06.006 A549 1
26079090 10.1016/j.ejmech.2015.06.006 Vero 1

Data from ChEMBL 36 via Core Engine