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Compound Detail

CHEMBL4205663

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OC(c1ccc2c(c1)SCCN2S(O)(O)c1cccnc1)(C(F)(F)F)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4205663
Phase Preclinical
Structure Type MOL
InChI Key MSVJTBZJMOGSJM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

460.4
MW (Da)
5.03
ALogP
6
HBA
3
HBD
76.8
PSA (Ų)
0.56
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14F6N2O3S2
MW 460.42
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.96

Literature References

PubMed DOI Target Context # Activities
29233651 10.1016/j.bmcl.2017.12.006 Nuclear receptor ROR-gamma 1

Data from ChEMBL 36 via Core Engine