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Compound Detail

CHEMBL3617125

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COC(=O)c1ccccc1NC(=S)Nc1cccc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3617125
Phase Preclinical
Structure Type MOL
InChI Key HCPQGAGWVPXKGQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
4.30
ALogP
3
HBA
2
HBD
50.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13F3N2O2S
MW 354.35
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.77

Literature References

PubMed DOI Target Context # Activities
26119992 10.1016/j.ejmech.2015.06.027 Staphylococcus aureus 8
26119992 10.1016/j.ejmech.2015.06.027 Staphylococcus epidermidis 4
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 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
26119992 10.1016/j.ejmech.2015.06.027 Enterococcus hirae 1
26119992 10.1016/j.ejmech.2015.06.027 Bacillus cereus 1
26119992 10.1016/j.ejmech.2015.06.027 Bacillus subtilis 1

Data from ChEMBL 36 via Core Engine