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Compound Detail

CHEMBL4216381

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CN(C1CCCC1)S(=O)(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)c(F)c1)CCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4216381
Phase Preclinical
Structure Type MOL
InChI Key WJSHMMLZNQQLJW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

434.5
MW (Da)
4.12
ALogP
3
HBA
0
HBD
57.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24F2N2O3S
MW 434.51
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.77

Literature References

PubMed DOI Target Context # Activities
28688280 10.1016/j.ejmech.2017.06.062 Hepatitis B virus 1
28688280 10.1016/j.ejmech.2017.06.062 PBMC 1
28688280 10.1016/j.ejmech.2017.06.062 CCRF-CEM 1
28688280 10.1016/j.ejmech.2017.06.062 Vero 1
28688280 10.1016/j.ejmech.2017.06.062 HepG2 1

Data from ChEMBL 36 via Core Engine