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Compound Detail

CHEMBL224201

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O=S(=O)(c1ccccc1)c1cnccc1NS(=O)(=O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL224201
Phase Preclinical
Structure Type MOL
InChI Key JDUAPUNMRHXADZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

366.3
MW (Da)
2.18
ALogP
5
HBA
1
HBD
93.2
PSA (Ų)
0.90
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 C12H9F3N2O4S2
MW 366.34
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.34

Literature References

PubMed DOI Target Context # Activities
15615524 10.1021/jm049480l No relevant target 2
15615524 10.1021/jm049480l Prostaglandin G/H synthase 2 1
15615524 10.1021/jm049480l Prostaglandin G/H synthase 1 1

Data from ChEMBL 36 via Core Engine