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

CHEMBL458847

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
COc1c(O)ccc2c1OC[C@H]1c3cc4c(cc3O[C@@H]21)OCO4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL458847
Phase Preclinical
Structure Type MOL
InChI Key UXAJJVDCDOFKCY-BONVTDFDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

314.3
MW (Da)
2.74
ALogP
6
HBA
1
HBD
66.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H14O6
MW 314.29
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 2.16

Literature References

PubMed DOI Target Context # Activities
9322358 10.1021/np970236p Quinone oxidoreductase 1
9322358 10.1021/np970236p NON-PROTEIN TARGET 1
9322358 10.1021/np970236p Unchecked 1

Data from ChEMBL 36 via Core Engine