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Compound Detail

CHEMBL4470659

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CS(=O)(=O)c1ccc(-c2noc(N)c2-c2ccc(F)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4470659
Phase Preclinical
Structure Type MOL
InChI Key JEJQSSCUGJGRBB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
3.13
ALogP
5
HBA
1
HBD
86.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13FN2O3S
MW 332.36
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.35

Literature References

PubMed DOI Target Context # Activities
30590258 10.1016/j.ejmech.2018.12.029 Prostaglandin G/H synthase 1 1
30590258 10.1016/j.ejmech.2018.12.029 Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine