LIDOFLAZINE

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Search structure


Synonyms	Angex Clinium Lidoflazine MCN-JR-7904 R 7904 R-7904
Status
Molecule Category	UNKNOWN
ATC	C08EX01
UNII	J4ZHN3HBTE
EPA CompTox	DTXSID6045377


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

Structure


InChI Key	ZBIAKUMOEKILTF-UHFFFAOYSA-N
Smiles	Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChI	InChI=1S/C30H35F2N3O/c1-22-5-3-6-23(2)30(22)33-29(36)21-35-19-17-34(18-20-35)16-4-7-28(24-8-12-26(31)13-9-24)25-10-14-27(32)15-11-25/h3,5-6,8-15,28H,4,7,16-21H2,1-2H3,(H,33,36)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C30H35F2N3O
Molecular Weight	491.63
AlogP	5.75
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	9.0
Polar Surface Area	35.58
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	36.0

Assay Description	Organism	Bioactivity	Reference
Calcium channel-blocking activity by determined by ability to antagonize calcium-induced contractions of isolated rabbit aortic strips	Oryctolagus cuniculus	31.62 nM
Inhibition of [3H]- batrachotoxin binding to sodium channel in rat neocortical membrane	Rattus norvegicus	77.0 nM
Inhibitory concentration against potassium channel HERG	None	15.85 nM
Inhibition of ENT1 in human K562 cells at 10 uM by flow cytometric assay	Homo sapiens	90.0 %
Inhibition of ENT1 in human K562 cells by flow cytometric assay	Homo sapiens	279.9 nM
Inhibition of human ERG	Homo sapiens	15.85 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	95.92 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	10.37 %
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	0.5 %		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	0.5 %

Cross References

Resources	Reference
ChEBI	93095
ChEMBL	CHEMBL92870
DrugBank	DB13766
DrugCentral	1580
FDA SRS	J4ZHN3HBTE
PharmGKB	PA165818137
PubChem	3926
SureChEMBL	SCHEMBL79037
ZINC	ZINC000022034381

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).