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Compound Detail

CHEMBL3617211

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FC(F)(F)c1cccc(NC(=S)NCCc2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3617211
Phase Preclinical
Structure Type MOL
InChI Key JRMUKNKNVDZSFC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
4.23
ALogP
1
HBA
2
HBD
24.1
PSA (Ų)
0.82
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 C16H15F3N2S
MW 324.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.83

Literature References

PubMed DOI Target Context # Activities
26119992 10.1016/j.ejmech.2015.06.027 Staphylococcus aureus 24
26119992 10.1016/j.ejmech.2015.06.027 Staphylococcus epidermidis 20
27061981 10.1016/j.ejmech.2016.03.073 Mus musculus 15
26119992 10.1016/j.ejmech.2015.06.027 Mycobacterium tuberculosis 3
26119992 10.1016/j.ejmech.2015.06.027 ADMET 3
26119992 10.1016/j.ejmech.2015.06.027 Micrococcus luteus 2
26119992 10.1016/j.ejmech.2015.06.027 NON-PROTEIN TARGET 2
26119992 10.1016/j.ejmech.2015.06.027 Bacillus subtilis 1
26119992 10.1016/j.ejmech.2015.06.027 Bacillus cereus 1
26119992 10.1016/j.ejmech.2015.06.027 Human alphaherpesvirus 1 1
26119992 10.1016/j.ejmech.2015.06.027 Vaccinia virus 1
26119992 10.1016/j.ejmech.2015.06.027 Vesicular stomatitis virus 1
26119992 10.1016/j.ejmech.2015.06.027 Rice stripe virus 1
26119992 10.1016/j.ejmech.2015.06.027 Poliovirus 1 1
26119992 10.1016/j.ejmech.2015.06.027 Coxsackievirus B5 1
26119992 10.1016/j.ejmech.2015.06.027 Yellow fever virus 1
26119992 10.1016/j.ejmech.2015.06.027 Human immunodeficiency virus 1 1
26119992 10.1016/j.ejmech.2015.06.027 MT4 1
26119992 10.1016/j.ejmech.2015.06.027 Proteus vulgaris 1
26119992 10.1016/j.ejmech.2015.06.027 Enterococcus faecalis 1

Data from ChEMBL 36 via Core Engine