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Compound Detail

CHEMBL42121

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CCS(=O)(=O)c1ccc(-n2cccc2-c2ccc(F)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL42121
Phase Preclinical
Structure Type MOL
InChI Key OOIAJZODZXSESF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
4.08
ALogP
3
HBA
0
HBD
39.1
PSA (Ų)
0.72
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 C18H16FNO2S
MW 329.40
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.81

Literature References

PubMed DOI Target Context # Activities
9171872 10.1021/jm970036a Prostaglandin G/H synthase 2 1
9171872 10.1021/jm970036a Prostaglandin G/H synthase 1 1

Data from ChEMBL 36 via Core Engine