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Compound Detail

CHEMBL4798394

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Cn1ccnc1SSc1nccn1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4798394
Phase Preclinical
Structure Type MOL
InChI Key VWGKCNYHKYTHBR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

226.3
MW (Da)
1.95
ALogP
6
HBA
0
HBD
35.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H10N4S2
MW 226.33
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -1.20

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