EFLORNITHINE

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Search structure


Synonyms	Eflornithine Ornidyl Vaniqa
Status
Molecule Category	Free-form
ATC	D11AX16 P01CX03
UNII	ZQN1G5V6SR
EPA CompTox	DTXSID3020467


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

Structure


InChI Key	VLCYCQAOQCDTCN-UHFFFAOYSA-N
Smiles	NCCCC(N)(C(=O)O)C(F)F
InChI	InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C6H12F2N2O2
Molecular Weight	182.17
AlogP	-0.23
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	5.0
Polar Surface Area	89.34
Molecular species	ZWITTERION
Aromatic Rings	0.0
Heavy Atoms	12.0

Assay Description	Organism	Bioactivity	Reference
Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells at 100 uM by confocal microscopy	Homo sapiens	5.5 %
Antitrypanosomal activity against Trypanosoma brucei brucei GUTat3.1 after 72 hrs by alamar blue assay	Trypanosoma brucei brucei	2.27 ug.mL-1
Cytotoxicity against human MRC5 cells after 7 days by MTT assay	Homo sapiens	100.0 ug.mL-1
Inhibition of Trypanosoma brucei rhodesiense recombinant rhodesain at 100 uM	Trypanosoma brucei rhodesiense	31.0 %
Inhibition of hair growth in C3H/HeN mouse model assessed as inhibition of hair growth after 14 days	Mus musculus	13.9 %
Cytotoxicity against in rat L6 cells assessed as reduction in cell viability after 70 hrs by alamar blue assay	Rattus norvegicus	12.0 ug.mL-1
Cytotoxicity against human MRC5 cells	Homo sapiens	100.0 ug.mL-1
Antitrypanosomal activity against Trypanosoma brucei brucei GUTat 3.1 after 72 hrs by AlamarBlue assay	Trypanosoma brucei brucei	2.27 ug.mL-1
Antitrypanosomal activity against bloodstream form of Trypanosoma brucei brucei S16 assessed as inhibition of proliferation measured after 72 hrs by alamarBlue assay	Trypanosoma brucei brucei	26.0 nM
Antitrypanosomal activity against trypomastigote form of Trypanosoma brucei after 72 hrs by Alamar blue assay	Trypanosoma brucei	6.1 ug.mL-1
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	16.65 %
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	-0.08 %		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	-0.08 %
Growth inhibiting activity of Naegleria gruberi in vitro	Naegleria gruberi	33.6 %

Cross References

Resources	Reference
ChEBI	41948
ChEMBL	CHEMBL830
DrugBank	DB06243
DrugCentral	990
FDA SRS	ZQN1G5V6SR
Guide to Pharmacology	5176
KEGG	C07997
PubChem	3009
SureChEMBL	SCHEMBL26327

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).