VILOXAZINE

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Search structure


Synonyms	Viloxazin Viloxazine
Status
Molecule Category	UNKNOWN
ATC	N06AX09
UNII	5I5Y2789ZF
EPA CompTox	DTXSID6057900


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

Structure


InChI Key	YWPHCCPCQOJSGZ-UHFFFAOYSA-N
Smiles	CCOc1ccccc1OCC1CNCCO1
InChI	InChI=1S/C13H19NO3/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11/h3-6,11,14H,2,7-10H2,1H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C13H19NO3
Molecular Weight	237.3
AlogP	1.45
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	39.72
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	17.0

Assay Description	Organism	Bioactivity	Reference
Equilibrium dissociation constant (KD) for Competitive binding between [3H]WIN-35428 and the compound at human transporter-hDAT	None	155.0 nM
Equilibrium dissociation constant (KD) for Competitive binding between [3H]- nisoxatine and the compound at human Norepinephrine transporter	None	155.0 nM
Tested for in vitro reuptake inhibition of [3H]norepinephrine in pig occipital synaptosomes.	Sus scrofa	220.0 nM
Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes	None	170.0 nM
Antibacterial activity against Pseudomonas aeruginosa ATCC 27853 (CO-ADD:GN_042); MIC in CAMBH media using NBS plates, by OD(600)	Pseudomonas aeruginosa	34.86 %
Antibacterial activity against Acinetobacter baumannii ATCC 19606 (CO-ADD:GN_034); MIC in CAMBH media using NBS plates, by OD600	Acinetobacter baumannii	7.54 %
Antibacterial activity against Pseudomonas aeruginosa PAO397 [PAO1 d(mexAB-oprM) d(mexCD-oprJ) d(mexEF-oprN) d(mexJKL) d(mexXY) d(opmH)] (CO-ADD:GN_211); MIC in CAMBH media using NBS plates, by OD(600)	Pseudomonas aeruginosa	-4.56 %

Related Entries

Cross References

Resources	Reference
ChEBI	94405
ChEMBL	CHEMBL306700
DrugBank	DB09185
DrugCentral	2820
FDA SRS	5I5Y2789ZF
PubChem	5666
SureChEMBL	SCHEMBL34168

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).