NONIVAMIDE

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Search structure


Synonyms	AH-23491X FEMA NO. 2787 Hansaplast Hydroxymethoxybenzyl pelargonamide N-vanillylnonamide NSC-172795 Nonivamide Nonylic acid vanillyamide Pseudocapsaicin
Status
Molecule Category	UNKNOWN
UNII	S846B891OR
EPA CompTox	DTXSID1034769


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

Structure


InChI Key	RGOVYLWUIBMPGK-UHFFFAOYSA-N
Smiles	CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1
InChI	InChI=1S/C17H27NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C17H27NO3
Molecular Weight	293.41
AlogP	3.77
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	10.0
Polar Surface Area	58.56
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	21.0

Assay Description	Organism	Bioactivity	Reference
Calcium +2 uptake into Dorsal Root Ganglion(DRG) neurons	None	550.0 nM		Calcium +2 uptake into Dorsal Root Ganglion(DRG) neurons	None	550.0 nM
In vitro effective dose for contraction of guinea pig ileum	Cavia porcellus	400.0 nM
In vitro contraction in guinea pig ileum equivalent to 50% capsaicin response	Cavia porcellus	400.0 nM
Percentage inhibition in mouse by using Croton oil-inflamed mouse ear test (topical dosing).	Mus musculus	72.3 %
Effective concentration for [Ca2+] uptake into dorsal root ganglia neurones in rat cultured spinal sensory neurones	Rattus norvegicus	550.0 nM
In vitro effective concentration for [Ca2+] uptake and accumulation of [Ca2+] in neonatal rat cultured spinal sensory neurons	Rattus norvegicus	550.0 nM
In vitro effective concentration for Ca++ uptake into dorsal root ganglia neurones in culture	None	550.0 nM
Agonist activity at rat TRPV1 expressed in CHO cells assessed as calcium uptake	Rattus norvegicus	223.0 nM
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	6.32 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	4.409 %
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	-0.01 %		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	-0.01 %

Related Entries

Cross References

Resources	Reference
ChEBI	46936
ChEMBL	CHEMBL75124
DrugBank	DB11324
FDA SRS	S846B891OR
Human Metabolome Database	HMDB0029846
PubChem	2998
SureChEMBL	SCHEMBL81939
ZINC	ZINC000001697652

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).