AMIFAMPRIDINE

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Search structure


Trade Names	RUZURGI
Synonyms	3,4-DAP 3,4-Diammoniopyridinium 4-DAP Amifampridine DAP Dynamine NSC-521760 Pyridine-3,4-Diamine Ruzurgi
Status
Molecule Category	Free-form
ATC	N07XX05
UNII	RU4S6E2G0J
EPA CompTox	DTXSID6046715


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	OYTKINVCDFNREN-UHFFFAOYSA-N
Smiles	Nc1ccncc1N
InChI	InChI=1S/C5H7N3/c6-4-1-2-8-3-5(4)7/h1-3H,7H2,(H2,6,8)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C5H7N3
Molecular Weight	109.13
AlogP	0.25
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	0.0
Polar Surface Area	64.93
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	8.0

Bioactivity

Mechanism of Action	Action	Reference
Voltage-gated potassium channel blocker	BLOCKER	FDA Other

Assay Description	Organism	Bioactivity	Reference
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	5.4 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	35.62 %		SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	3.926 %
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	-0.11 %		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	-0.16 %		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	-0.16 %		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	-0.11 %

Cross References

Resources	Reference
ChEBI	135948
ChEMBL	CHEMBL354077
DrugBank	DB11640
DrugCentral	4336
FDA SRS	RU4S6E2G0J
Guide to Pharmacology	8032
PDB	L89
PubChem	5918
SureChEMBL	SCHEMBL21273
ZINC	ZINC000000164000

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).