ARGININE

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Search structure


Synonyms	Arginine L-arginine NSC-206269
Status
Molecule Category	Free-form
UNII	94ZLA3W45F
EPA CompTox	DTXSID6041056
Parent Compound:	ARGININE


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

Structure


InChI Key	ODKSFYDXXFIFQN-BYPYZUCNSA-N
Smiles	N=C(N)NCCC[C@H](N)C(=O)O
InChI	InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C6H14N4O2
Molecular Weight	174.2
AlogP	-1.34
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	5.0
Polar Surface Area	125.22
Molecular species	ZWITTERION
Aromatic Rings	0.0
Heavy Atoms	12.0

Assay Description	Organism	Bioactivity	Reference
Percentage inhibition against tryptase at 10 uM	Homo sapiens	3.71 %
Antiviral activity against Feline coronavirus FIPV infected in cat CRFK cells assessed as protection against virus-induced cytopathogenicity after 2 days by MTS assay	Feline infectious peritonitis virus	2.6 ug.mL-1
Antiviral activity against Feline herpes virus infected in cat CRFK cells assessed as protection against virus-induced cytopathogenicity after 2 days by MTS assay	Felid herpesvirus 1	1.6 ug.mL-1
Induction of resistance to Botryotinia fuckeliana-induced tomato fruit Solanum lycopersicum cv. No. 4 Zhongshu gray mold disease assessed as inhibition of lession area at 1 mM injected near root area measured after 12 days relative to control	Botryotinia fuckeliana	85.0 %
Induction of resistance to Botryotinia fuckeliana-induced tomato fruit Solanum lycopersicum cv. No. 4 Zhongshu gray mold disease assessed as inhibition of lession area at 1 mM injected near root area measured after 9 days relative to control	Botryotinia fuckeliana	90.0 %
Induction of resistance to Botryotinia fuckeliana-induced tomato fruit Solanum lycopersicum cv. No. 4 Zhongshu gray mold disease assessed as inhibition of lession area at 1 mM injected near root area measured after 6 days relative to control	Botryotinia fuckeliana	90.0 %
Induction of resistance to Botryotinia fuckeliana-induced tomato fruit Solanum lycopersicum cv. No. 4 Zhongshu gray mold disease assessed as inhibition of lession area at 1 mM injected near root area measured after 3 days relative to control	Botryotinia fuckeliana	86.0 %
Inhibition of human LAT1 expressed in HEK cells assessed as reduction in uptake of [3H]-gabapentin at 200 uM after 3 mins by scintillation counting based cis-inhibition assay	Homo sapiens	49.0 %
Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake at 200 uM preincubated for 3 mins at 37 degC followed by washing with choline buffer and measured after 3 hrs by scintillation counting analysis relative to BCH	Homo sapiens	49.0 %
Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 degC followed by washing with choline buffer and measured after 3 hrs by scintillation counting analysis relative to BCH	Homo sapiens	49.0 %
Inhibition of human LAT1 expressed in HEK293-T-Rex cells assessed as inhibition of [3H]-gabapentin uptake at 200 uM by scintillation counting cis-inhibition assay	Homo sapiens	49.0 %

Cross References

Resources	Reference
ChEBI	16467
ChEMBL	CHEMBL1485
DrugBank	DB00125
DrugCentral	1549
FDA SRS	94ZLA3W45F
Human Metabolome Database	HMDB0000517
Guide to Pharmacology	721
KEGG	C00062
PharmGKB	PA448478
PubChem	6322
SureChEMBL	SCHEMBL1791
ZINC	ZINC000001532525

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).