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Compound Detail

CHEMBL4207276

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O=C(Nc1ccc(F)c(F)c1)c1cc(S(=O)(=O)N2CCCC2=O)ccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4207276
Phase Preclinical
Structure Type MOL
InChI Key FVBVDWIZUYFNOB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

398.4
MW (Da)
2.67
ALogP
4
HBA
1
HBD
83.5
PSA (Ų)
0.86
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 C17H13F3N2O4S
MW 398.36
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -2.21

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