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Compound Detail

CHEMBL3805406

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C/C(=N\N=C1/SCC(=O)N1Cc1cccc(Cl)c1)c1cccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3805406
Phase Preclinical
Structure Type MOL
InChI Key NWBMWFQUPGZQIR-DZKKHAQYSA-N
0
Targets
5
Activities
2
Assay Types
0
PK Parameters
16
Publications
0
Known Names

Molecular Properties

363.9
MW (Da)
4.26
ALogP
5
HBA
0
HBD
45.0
PSA (Ų)
0.60
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 C16H14ClN3OS2
MW 363.90
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -2.12

Activity Summary

EC50 3 meas.
IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
27100030 10.1016/j.ejmech.2016.04.012 ADMET 6
27100030 10.1016/j.ejmech.2016.04.012 No relevant target 6
27100030 10.1016/j.ejmech.2016.04.012 Staphylococcus aureus 1
27100030 10.1016/j.ejmech.2016.04.012 Staphylococcus warneri 1
27100030 10.1016/j.ejmech.2016.04.012 Enterococcus faecalis 1
27100030 10.1016/j.ejmech.2016.04.012 Streptococcus pyogenes 1
27100030 10.1016/j.ejmech.2016.04.012 Escherichia coli 1
27100030 10.1016/j.ejmech.2016.04.012 Proteus mirabilis 1
27100030 10.1016/j.ejmech.2016.04.012 Enterobacter sp. 1
27100030 10.1016/j.ejmech.2016.04.012 Klebsiella oxytoca 1
27100030 10.1016/j.ejmech.2016.04.012 Candida albicans 1
27100030 10.1016/j.ejmech.2016.04.012 Nakaseomyces glabratus 1
27100030 10.1016/j.ejmech.2016.04.012 Candida tropicalis 1
27100030 10.1016/j.ejmech.2016.04.012 Pichia kudriavzevii 1
27100030 10.1016/j.ejmech.2016.04.012 Candida parapsilosis 1
27100030 10.1016/j.ejmech.2016.04.012 [Candida] sake 1

Data from ChEMBL 36 via Core Engine