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

CHEMBL1085065

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
Cc1ccc(SC(CC(=O)c2ccc(C)cc2)C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1085065
Phase Preclinical
Structure Type MOL
InChI Key IEIVEWHOYWOARU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
4.12
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.64
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 C18H18O3S
MW 314.41
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.58

Literature References

PubMed DOI Target Context # Activities
20471252 10.1016/j.bmcl.2010.04.095 Fatty acid-binding protein, adipocyte 2

Data from ChEMBL 36 via Core Engine