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

CHEMBL5078357

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
CCCCC1(O)CC(=O)c2c(O)cc(O)cc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5078357
Phase Preclinical
Structure Type MOL
InChI Key RJGFTLXDEIHXDK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

252.3
MW (Da)
1.94
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16O5
MW 252.27
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 1.80

Literature References

PubMed DOI Target Context # Activities
33860662 10.1021/acs.jmedchem.1c00085 MDA-MB-231 1
33860662 10.1021/acs.jmedchem.1c00085 MCF7 1

Data from ChEMBL 36 via Core Engine