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Compound Detail

CHEMBL3805620

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CC(C)=N/N=C1\SCC(=O)N1Cc1ccc(N)cc1

Basic Information

ChEMBL ID CHEMBL3805620
Phase Preclinical
Structure Type MOL
InChI Key GGQSYUZYBFPVDG-SSZFMOIBSA-N
0
Targets
4
Activities
2
Assay Types
0
PK Parameters
15
Publications
0
Known Names

Molecular Properties

276.4
MW (Da)
2.10
ALogP
5
HBA
1
HBD
71.0
PSA (Ų)
0.52
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 C13H16N4OS
MW 276.37
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.13

Activity Summary

EC50 3 meas.
IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
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