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Compound Detail

CHEMBL601616

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FC(F)(F)c1cccc(NC(=S)Nc2cccc(Cl)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL601616
Phase Preclinical
Structure Type MOL
InChI Key LJBZBKNSZJQBBC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

330.8
MW (Da)
5.17
ALogP
1
HBA
2
HBD
24.1
PSA (Ų)
0.74
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10ClF3N2S
MW 330.76
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.02

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
20485428 10.1038/nature09099 Plasmodium falciparum 2
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 CCRF-SB 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

Data from ChEMBL 36 via Core Engine