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Compound Detail

CHEMBL4212921

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O=C(NC1(c2ccc(F)c(F)c2)CC1)c1cc(S(=O)(=O)NC2CCCC2)ccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4212921
Phase Preclinical
Structure Type MOL
InChI Key JGKCHRCBECRAAV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

438.5
MW (Da)
3.74
ALogP
3
HBA
2
HBD
75.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21F3N2O3S
MW 438.47
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.83

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