DTP-348

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Synonyms
Status
Molecule Category Free-form
UNII 2HB46A9CNM

Structure

InChI Key AVSMSXHPIYIKIJ-UHFFFAOYSA-N
Smiles Cc1ncc([N+](=O)[O-])n1CCNS(N)(=O)=O
InChI
InChI=1S/C6H11N5O4S/c1-5-8-4-6(11(12)13)10(5)3-2-9-16(7,14)15/h4,9H,2-3H2,1H3,(H2,7,14,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11N5O4S
Molecular Weight 249.25
AlogP -1.11
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 133.15
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- - - 8.1-20.4 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 8.1-20.4 -

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL3087323
DrugBank DB12741
FDA SRS 2HB46A9CNM
PDB 2VQ
PubChem 57413968
SureChEMBL SCHEMBL15312833
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