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

CHEMBL4566339

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
CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H](C)c2c1cc(C(=O)O)c(O)c2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4566339
Phase Preclinical
Structure Type MOL
InChI Key DVALTTZEWZAZPV-MJBXVCDLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
5.16
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.51
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H28O4
MW 332.44
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 2.20

Literature References

PubMed DOI Target Context # Activities
26960032 10.1021/acs.jnatprod.5b01128 Tyrosine-protein phosphatase non-receptor type 1 1

Data from ChEMBL 36 via Core Engine