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Compound Detail

CHEMBL18796

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CC1(O)OC(=O)C(Oc2ccc(F)c(F)c2)=C1c1ccc(S(C)(=O)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL18796
Phase Preclinical
Structure Type MOL
InChI Key FQAOARDGZGUJND-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
2.42
ALogP
6
HBA
1
HBD
89.9
PSA (Ų)
0.80
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 C18H14F2O6S
MW 396.37
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.28

Literature References

PubMed DOI Target Context # Activities
12643942 10.1016/s0960-894x(03)00046-5 Prostaglandin G/H synthase 2 2
12643942 10.1016/s0960-894x(03)00046-5 Prostaglandin G/H synthase 1 1

Data from ChEMBL 36 via Core Engine