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Compound Detail

CHEMBL3094381

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O=C(O)c1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3094381
Phase Preclinical
Structure Type MOL
InChI Key KWHHRORFVRGNFG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

359.3
MW (Da)
3.14
ALogP
3
HBA
1
HBD
74.7
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12F3NO4S
MW 359.33
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.46

Literature References

PubMed DOI Target Context # Activities
30077610 10.1016/j.bmc.2018.07.038 Nuclear receptor ROR-gamma 3
30077610 10.1016/j.bmc.2018.07.038 Nuclear receptor ROR-alpha 3
24239186 10.1016/j.bmcl.2013.10.054 Nuclear receptor ROR-gamma 2
30077610 10.1016/j.bmc.2018.07.038 Nuclear receptor subfamily 1 group I member 2 1
30077610 10.1016/j.bmc.2018.07.038 No relevant target 1

Data from ChEMBL 36 via Core Engine