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Compound Detail

CHEMBL3094376

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CC(=O)NCCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3094376
Phase Preclinical
Structure Type MOL
InChI Key ZOTCGJSUBOIQLX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

484.4
MW (Da)
3.33
ALogP
4
HBA
2
HBD
86.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18F6N2O4S
MW 484.42
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
24239186 10.1016/j.bmcl.2013.10.054 Nuclear receptor ROR-gamma 2

Data from ChEMBL 36 via Core Engine