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Compound Detail

CHEMBL4780805

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S=C(SSC(=S)N1CCC1)N1CCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4780805
Phase Preclinical
Structure Type MOL
InChI Key XULYUMHEZZIICL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

264.5
MW (Da)
2.35
ALogP
4
HBA
0
HBD
6.5
PSA (Ų)
0.49
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 C8H12N2S4
MW 264.47
Aromatic Rings 0
Heavy Atoms 14
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