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Compound Detail

CHEMBL3094375

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CS(=O)(=O)CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3094375
Phase Preclinical
Structure Type MOL
InChI Key DZEYAJQEOJEWJM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

505.5
MW (Da)
3.24
ALogP
5
HBA
1
HBD
91.8
PSA (Ų)
0.58
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17F6NO5S2
MW 505.46
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.14

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