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

CHEMBL3594187

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
COC(=O)CC1=CC[C@H]2[C@H](C[C@@H]1C)OC(=O)[C@H]2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3594187
Phase Preclinical
Structure Type MOL
InChI Key FIJYMUJSBPMMPJ-XPXLGCRWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

252.3
MW (Da)
2.08
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C14H20O4
MW 252.31
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 1.97

Literature References

PubMed DOI Target Context # Activities
26110443 10.1021/np500951s NON-PROTEIN TARGET 2
26110443 10.1021/np500951s Coxsackievirus B3 1

Data from ChEMBL 36 via Core Engine