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

CHEMBL463449

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
C/C=C(/C)C(=O)O[C@@H]1[C@H](O)c2c(ccc3ccc(=O)oc23)OC1(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL463449
Phase Preclinical
Structure Type MOL
InChI Key KJWFOHVSTFGWGZ-YCDQCDSPSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
2.88
ALogP
6
HBA
1
HBD
86.0
PSA (Ų)
0.51
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 C19H20O6
MW 344.36
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 2.64

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
12088423 10.1021/np010448t Calmodulin 2
12088423 10.1021/np010448t Amaranthus hypochondriacus 1
12088423 10.1021/np010448t Echinochloa crus-galli 1

Data from ChEMBL 36 via Core Engine