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Compound Detail

CHEMBL325492

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CS(=O)(=O)c1ccc(-n2cncc2-c2ccc(F)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL325492
Phase Preclinical
Structure Type MOL
InChI Key MLDZBZHEHYVWBH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
3.08
ALogP
4
HBA
0
HBD
52.0
PSA (Ų)
0.75
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 C16H13FN2O2S
MW 316.36
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.63

Literature References

PubMed DOI Target Context # Activities
12877584 10.1021/jm030765s Prostaglandin G/H synthase 2 2
12877584 10.1021/jm030765s Prostaglandin G/H synthase 1 1
12877584 10.1021/jm030765s Rattus norvegicus 1
20554444 10.1016/j.bmcl.2010.05.092 Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine