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Compound Detail

CHEMBL324042

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Cc1nc(Cl)n(-c2ccc(F)cc2)c1-c1ccc(S(C)(=O)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL324042
Phase Preclinical
Structure Type MOL
InChI Key NAUBUHLGUBYXRS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

364.8
MW (Da)
4.04
ALogP
4
HBA
0
HBD
52.0
PSA (Ų)
0.70
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 C17H14ClFN2O2S
MW 364.83
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.62

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

Data from ChEMBL 36 via Core Engine