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Compound Detail

CHEMBL3949085

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O=C(Oc1ccccc1)N(Nc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3949085
Phase Preclinical
Structure Type MOL
InChI Key QEEJXIBEEHSWRF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

470.9
MW (Da)
5.58
ALogP
5
HBA
1
HBD
75.7
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14ClF3N2O4S
MW 470.86
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.31

Literature References

PubMed DOI Target Context # Activities
27720548 10.1016/j.bmcl.2016.09.070 Prostaglandin E synthase 2
27720548 10.1016/j.bmcl.2016.09.070 Mus musculus 1
27720548 10.1016/j.bmcl.2016.09.070 Prostaglandin G/H synthase 1 1
27720548 10.1016/j.bmcl.2016.09.070 Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine