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Compound Detail

CHEMBL4789930

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CN(C(=S)SSC(=S)N(C)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4789930
Phase Preclinical
Structure Type MOL
InChI Key ZIALIEBHLHWXFY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

516.8
MW (Da)
8.54
ALogP
4
HBA
0
HBD
6.5
PSA (Ų)
0.20
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H24N2S4
MW 516.78
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.56

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