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

CHEMBL338371

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(=O)c(-c2ccc3c(c2)CCCC3)c(-c2ccc(S(C)(=O)=O)cc2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL338371
Phase Preclinical
Structure Type MOL
InChI Key DQXBCENFYCGZAA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
4.56
ALogP
4
HBA
0
HBD
64.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22O4S
MW 394.49
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.19

Literature References

PubMed DOI Target Context # Activities
15239665 10.1021/jm049882t Prostaglandin G/H synthase 1 1
15239665 10.1021/jm049882t Prostaglandin G/H synthase 2 1
15239665 10.1021/jm049882t Cyclooxygenase 1
15239665 10.1021/jm049882t Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine