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Compound Detail

CHEMBL69428

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O=C1NC(=S)S/C1=C\c1cn(-c2ccccc2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL69428
Phase Preclinical
Structure Type MOL
InChI Key NHSDICZBTFPOTN-WDZFZDKYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

287.4
MW (Da)
2.36
ALogP
5
HBA
1
HBD
46.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H9N3OS2
MW 287.37
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.74

Literature References

PubMed DOI Target Context # Activities
11012024 10.1016/s0960-894x(00)00444-3 Beta-lactamase 1
11012024 10.1016/s0960-894x(00)00444-3 Beta-lactamase TEM 1

Data from ChEMBL 36 via Core Engine