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Compound Detail

CHEMBL4751677

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S=C(SSC(=S)N1CCc2ccccc21)N1CCc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4751677
Phase Preclinical
Structure Type MOL
InChI Key HUUCGAFYTLYXLD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.6
MW (Da)
5.06
ALogP
4
HBA
0
HBD
6.5
PSA (Ų)
0.46
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N2S4
MW 388.61
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.71

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