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

CHEMBL426767

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
CS(=O)(=O)c1ccc(-c2cc(C(=O)O)ccc2-c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL426767
Phase Preclinical
Structure Type MOL
InChI Key ZOHVOQTYCQKZLK-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
4.12
ALogP
3
HBA
1
HBD
71.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16O4S
MW 352.41
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.47

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
10230611 10.1016/s0960-894x(99)00105-5 Prostaglandin G/H synthase 1 1
10230611 10.1016/s0960-894x(99)00105-5 Prostaglandin G/H synthase 2 1
10230611 10.1016/s0960-894x(99)00105-5 Cyclooxygenase 1

Data from ChEMBL 36 via Core Engine