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

CHEMBL251672

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@@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC[C@@]1(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C=CC[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL251672
Phase Preclinical
Structure Type MOL
InChI Key YROXDMYKXGMKSM-MVKHKFTQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

492.5
MW (Da)
0.63
ALogP
10
HBA
4
HBD
155.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C25H32O10
MW 492.52
Aromatic Rings 1
Heavy Atoms 35
NP-Likeness 3.11

Literature References

PubMed DOI Target Context # Activities
17994701 10.1021/np0704248 Cytochrome P450 3A4 1
18829331 10.1016/j.bmc.2008.09.023 RAW264.7 1

Data from ChEMBL 36 via Core Engine