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Compound Detail

CHEMBL4214871

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CCN(CC)C(=O)SSC(=O)N(CC)CC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4214871
Phase Preclinical
Structure Type MOL
InChI Key RBAXVJRSGWIFEH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

264.4
MW (Da)
3.29
ALogP
4
HBA
0
HBD
40.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H20N2O2S2
MW 264.42
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness -0.54

Literature References

PubMed DOI Target Context # Activities
32711108 10.1016/j.ejmech.2020.112500 Fructose-1,6-bisphosphatase 1 2
29652143 10.1021/acs.jmedchem.8b00318 Glutathione S-transferase omega-1 1

Data from ChEMBL 36 via Core Engine