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Compound Detail

CHEMBL4758888

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S=C(SSC(=S)n1ncc2ccccc21)n1ncc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4758888
Phase Preclinical
Structure Type MOL
InChI Key TVKZYUOSSBDTSF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

386.6
MW (Da)
4.73
ALogP
8
HBA
0
HBD
35.6
PSA (Ų)
0.32
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10N4S4
MW 386.55
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.83

Literature References

PubMed DOI Target Context # Activities
32711108 10.1016/j.ejmech.2020.112500 Fructose-1,6-bisphosphatase 1 2

Data from ChEMBL 36 via Core Engine