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Compound Detail

CHEMBL44421

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

Basic Information

ChEMBL ID CHEMBL44421
Phase Preclinical
Structure Type MOL
InChI Key OXCBKSZUXJXAGS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
3.53
ALogP
3
HBA
0
HBD
42.3
PSA (Ų)
0.73
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 C18H17FN2O2S
MW 344.41
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.85

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