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

CHEMBL498630

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
COc1cc(C(c2cc(OC)c3c(c2)OCO3)[C@@H]2COC(=O)[C@@H]2CO)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL498630
Phase Preclinical
Structure Type MOL
InChI Key XQWLRAUXZRVNAY-YNCRUDOASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

446.4
MW (Da)
2.36
ALogP
9
HBA
1
HBD
101.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H26O9
MW 446.45
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 1.34

Literature References

PubMed DOI Target Context # Activities
16724842 10.1021/np0600447 Unchecked 6
16724842 10.1021/np0600447 ADMET 1
16724842 10.1021/np0600447 WI-38 VA13 1
16724842 10.1021/np0600447 HepG2 1

Data from ChEMBL 36 via Core Engine