AMONAFIDE

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Synonyms
Status
Molecule Category UNKNOWN
UNII 1Q8D39N37L
EPA CompTox DTXSID30219562

Structure

InChI Key UPALIKSFLSVKIS-UHFFFAOYSA-N
Smiles CN(C)CCN1C(=O)c2cccc3cc(N)cc(c23)C1=O
InChI
InChI=1S/C16H17N3O2/c1-18(2)6-7-19-15(20)12-5-3-4-10-8-11(17)9-13(14(10)12)16(19)21/h3-5,8-9H,6-7,17H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H17N3O2
Molecular Weight 283.33
AlogP 1.58
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 66.64
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0
Assay Description Organism Bioactivity Reference
Antitumor activity against murine L1210 resistant cell line by using MTT assay Mus musculus 625.0 nM
Anti-tumor activity against murine L1210 sensitive cell line by using MTT assay Mus musculus 625.0 nM
Antitumor activity against sensitive L1210 murine leukemia cell lines. Mus musculus 625.0 nM
Antitumor activity against murine leukemia L1210 cell line. Mus musculus 625.0 nM
Inhibitory activity against resistant murine leukemia L1210 cell lines. Mus musculus 625.0 nM
Inhibitory activity against sensitive L1210 cell lines Mus musculus 625.0 nM
Tested for inhibitory activity against murine cell line L12110, a strain resistant to doxorubicin using MTT assay. Mus musculus 625.0 nM
Tested for inhibitory activity against murine cell line L12110, a strain sensitive to doxorubicin using MTT assay. Mus musculus 625.0 nM
Tested against L1210 resistant murine leukemia cells by MTT tetrazolium dye assay Mus musculus 625.0 nM
Tested against L1210 sensitive murine leukemia cells by MTT tetrazolium dye assay Mus musculus 625.0 nM
Cytotoxic concentration against murine P388 leukemia cell line growth determined by microculture tetrazolium-formazan method Mus musculus 200.0 nM
Cytotoxicity against mouse P388 cells by tetrazolium-formazan method Mus musculus 200.0 nM
Cytotoxicity against mouse P388 cells after 48 hrs by tetrazolium-formazan method Mus musculus 200.0 nM
Effect on cell proliferation of Sprague-Dawley rat smooth muscle cells after 72 hrs Rattus norvegicus 480.0 nM
Cytotoxicity against human HeLa cells after 48 hrs by MTT assay Homo sapiens 680.0 nM
Antiproliferative activity against mouse P388D1 cells after 48 hrs by MTT assay Mus musculus 680.0 nM
Cytotoxicity against mouse P388 cells by tetrazolium-formazan assay Mus musculus 200.0 nM
Cytotoxicity against human HL60 cells after 72 hrs by MTT assay Homo sapiens 900.0 nM
Inhibition of human topoisomerase 2 alpha-mediated decatenation of kinetoplast DNA at 100 uM after 30 mins by agarose gel electrophoresis in presence of ATP relative to control Homo sapiens 97.45 %
Cytotoxicity against human SW620 cells after 3 days by MTT assay Homo sapiens 320.0 nM
Inhibition of human DNA topoisomerase-2-mediated decatenation of kinetoplast DNA at 100 uM after 1 hr by electrophoretic analysis relative to control Homo sapiens 61.8 %
Antimetastatic activity against mouse CT26 cells implanted in Balb/c mouse assessed as inhibition of pulmonary metastasis nodules at 5 mg/kg, iv for 7 consecutive days starting from day 8 post tumor implantation measured on day 15 post tumor implantation relative to control Mus musculus 66.0 %
Antitumor activity against mouse H22 cells implanted in Swiss mouse assessed as inhibition of lung metastasis at 5 mg/kg/day, iv administered via tail vein for 7 days relative to control Mus musculus 41.2 %
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 34.15 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 9.748 %
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 0.17 % 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 0.17 %
Antitumor activity against human MGC-803 cells xenografted in BALB/c nude mice assessed as tumor inhibitory rate at 5 mg/kg, ip measured after 21 days relative to control Homo sapiens 57.5 %
Antitumor activity against human HCC cells xenografted in BALB/c mouse assessed as inhibition of tumor weight at 5 mg/kg, iv administered once daily for 7 days Homo sapiens 46.91 %
Antimetastatic activity against human HCC cells xenografted in BALB/c mouse assessed as reduction lung metastatic nodules at 5 mg/kg, iv administered once every 2 days for 14 days Homo sapiens 55.77 %

Cross References

Resources Reference
ChEBI 94661
ChEMBL CHEMBL428676
DrugBank DB05022
FDA SRS 1Q8D39N37L
PubChem 50515
SureChEMBL SCHEMBL27226
ZINC ZINC000004214836
CONTENTS