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Compound Detail

CHEMBL4470721

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N#Cc1ccccc1CSc1nnc(N)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4470721
Phase Preclinical
Structure Type MOL
InChI Key QZNBPFNKLDTMFN-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
2.28
ALogP
6
HBA
1
HBD
75.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H8N4S2
MW 248.34
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -2.73

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
31420255 10.1016/j.bmc.2019.115043 Sortase A 3
31420255 10.1016/j.bmc.2019.115043 Staphylococcus aureus 2
34898210 10.1021/acs.jmedchem.1c01108 Bromodomain-containing protein 4 2
31420255 10.1016/j.bmc.2019.115043 Escherichia coli 1

Data from ChEMBL 36 via Core Engine