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

CHEMBL3353746

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
Cc1cc(OCc2cccc(-c3c(C)cc(OCCCS(C)(=O)=O)cc3C)c2)cc(C)c1OC(C)(C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3353746
Phase Preclinical
Structure Type MOL
InChI Key PXIAYCBQSLLBFU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

554.7
MW (Da)
6.22
ALogP
6
HBA
1
HBD
99.1
PSA (Ų)
0.27
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H38O7S
MW 554.71
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -0.26

Literature References

PubMed DOI Target Context # Activities
25481394 10.1016/j.bmc.2014.11.016 Free fatty acid receptor 1 2

Data from ChEMBL 36 via Core Engine