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

CHEMBL3589818

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
CCOC(=O)CCCOc1cc(O)c2c(=O)c(O)c(-c3ccc(OC)cc3)oc2c1CC=C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3589818
Phase Preclinical
Structure Type MOL
InChI Key USDOVTOHNCGVGV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

482.5
MW (Da)
5.11
ALogP
8
HBA
2
HBD
115.4
PSA (Ų)
0.23
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H30O8
MW 482.53
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness 1.26

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