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

CHEMBL59198

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/c2cccs2)cc(F)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL59198
Phase Preclinical
Structure Type MOL
InChI Key MQWNLHHTVXPJCG-SNAWJCMRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

250.3
MW (Da)
3.77
ALogP
3
HBA
1
HBD
29.5
PSA (Ų)
0.90
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 C13H11FO2S
MW 250.29
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.00

Literature References

PubMed DOI Target Context # Activities
2113949 10.1021/jm00169a010 Polyunsaturated fatty acid 5-lipoxygenase 3
2113949 10.1021/jm00169a010 Cyclooxygenase 3

Data from ChEMBL 36 via Core Engine