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Compound Detail

CHEMBL1688953

TRITHIOCYANURIC ACID
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Sc1cc(S)nc(S)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1688953
Name TRITHIOCYANURIC ACID
Phase Preclinical
Structure Type MOL
InChI Key RWZBVWVFUYPZCE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

176.3
MW (Da)
1.34
ALogP
5
HBA
3
HBD
25.8
PSA (Ų)
0.32
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C4H4N2S3
MW 176.29
Aromatic Rings 1
Heavy Atoms 9
NP-Likeness -0.81

Literature References

PubMed DOI Target Context # Activities
20921305 10.1128/aac.01029-10 Bacillus anthracis 3
20921305 10.1128/aac.01029-10 J774.A1 1

Data from ChEMBL 36 via Core Engine