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

CHEMBL210727

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=C\Cc2cc(O)c3c(-c4ccccc4)csc3c2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL210727
Phase Preclinical
Structure Type MOL
InChI Key NAVVFPQXDVMBLD-CLFYSBASSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

432.5
MW (Da)
6.56
ALogP
5
HBA
1
HBD
47.9
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24O4S
MW 432.54
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness 0.20

Literature References

PubMed DOI Target Context # Activities
16722633 10.1021/jm0510732 BMEC 1

Data from ChEMBL 36 via Core Engine