DALFAMPRIDINE

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category UNKNOWN
UNII BH3B64OKL9
EPA CompTox DTXSID0023870

Structure

InChI Key NUKYPUAOHBNCPY-UHFFFAOYSA-N
Smiles Nc1ccncc1
InChI
InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H6N2
Molecular Weight 94.12
AlogP 0.66
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 38.91
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 7.0

Bioactivity

Mechanism of Action Action Reference
Voltage-gated potassium channel blocker BLOCKER FDA PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 89000 - - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 1-4
Assay Description Organism Bioactivity Reference
Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex at 10 uM Cavia porcellus 1.2 %
Inhibition of binding of Batrachotoxinin [3H]BTX-B to high-affinity sites on voltage-dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex at 100 uM Cavia porcellus 3.8 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging Homo sapiens -6.59 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 27.93 % SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 22.94 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.17 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.05 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.05 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.17 %

Cross References

Resources Reference
ChEBI 34385
ChEMBL CHEMBL284348
DrugBank DB06637
DrugCentral 4163
FDA SRS BH3B64OKL9
Guide to Pharmacology 2416
KEGG C13728
PDB 4AP
PharmGKB PA166123389
PubChem 1727
SureChEMBL SCHEMBL53483
ZINC ZINC000000599985
CONTENTS