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

CHEMBL3617854

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
COc1ccc(-c2coc3c(CC=C(C)C)c(OC)cc(OC)c3c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3617854
Phase Preclinical
Structure Type MOL
InChI Key QXIVWULNBKGIJZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
4.99
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24O5
MW 380.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 1.29

Literature References

PubMed DOI Target Context # Activities
26351039 10.1016/j.bmcl.2015.08.059 Unchecked 1

Data from ChEMBL 36 via Core Engine