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Compound Detail

CHEMBL3094347

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CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3ccccn3)c2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3094347
Phase Preclinical
Structure Type MOL
InChI Key YDZVDTLMNTWEPN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

375.5
MW (Da)
4.56
ALogP
5
HBA
2
HBD
79.8
PSA (Ų)
0.55
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 C20H17N5OS
MW 375.46
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.98

Literature References

PubMed DOI Target Context # Activities
24239017 10.1016/j.bmcl.2013.10.058 No relevant target 1
24239017 10.1016/j.bmcl.2013.10.058 Enterococcus faecalis 1
24239017 10.1016/j.bmcl.2013.10.058 DNA gyrase 1
25137573 10.1016/j.ejmech.2014.08.025 DNA gyrase 1
25137573 10.1016/j.ejmech.2014.08.025 Staphylococcus aureus 1
25137573 10.1016/j.ejmech.2014.08.025 Enterococcus faecalis 1
25137573 10.1016/j.ejmech.2014.08.025 Streptococcus pyogenes 1
25137573 10.1016/j.ejmech.2014.08.025 Haemophilus influenzae 1

Data from ChEMBL 36 via Core Engine