TRIAPINE

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Synonyms
Status
Molecule Category Free-form
UNII U4XIL4091C
EPA CompTox DTXSID90893923

Structure

InChI Key XMYKNCNAZKMVQN-NYYWCZLTSA-N
Smiles NC(=S)N/N=C/c1ncccc1N
InChI
InChI=1S/C7H9N5S/c8-5-2-1-3-10-6(5)4-11-12-7(9)13/h1-4H,8H2,(H3,9,12,13)/b11-4+

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H9N5S
Molecular Weight 195.25
AlogP -0.17
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 89.32
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 13.0

Pharmacology

Mechanism of Action Action Reference
Ribonucleotide reductase inhibitor INHIBITOR PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 185 - - -
Unclassified protein
- - - 388 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 185-967.6 - 388 -

Cross References

Resources Reference
ChEMBL CHEMBL231616
DrugBank DB11940
FDA SRS U4XIL4091C
PharmGKB PA165858618
SureChEMBL SCHEMBL29370
ZINC ZINC000006092213
CONTENTS