EDOTECARIN


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


InChI Key	QMVPQBFHUJZJCS-NTKFZFFISA-N
Smiles	O=C1c2c(c3c4ccc(O)cc4n([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NC(CO)CO
InChI	InChI=1S/C29H28N4O11/c34-7-10(8-35)31-33-27(42)20-18-13-3-1-11(37)5-15(13)30-22(18)23-19(21(20)28(33)43)14-4-2-12(38)6-16(14)32(23)29-26(41)25(40)24(39)17(9-36)44-29/h1-6,10,17,24-26,29-31,34-41H,7-9H2/t17-,24-,25+,26-,29-/m1/s1

Assay Description	Organism	Bioactivity
Tested for cytotoxic activity against human stomach cancer cells (MKN-45)	Homo sapiens	4.8 nM
The compound was tested for the cytotoxic activity against murine leukemia cells (P388)	Mus musculus	1.5 nM
Inhibitory effect on topoisomerase-1 mediated DNA cleavage using supercoiled pBR322 plasmid DNA	None	51.0 nM
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by proteinase K/SDS method	Mus musculus	1.5 nM
Inhibition of human DNA topoisomerase 1-mediated DNA cleavage assessed as relaxation of supercoiled pBR322 plasmid DNA after 15 mins by densitometer	Homo sapiens	100.0 nM
Cytotoxicity against mouse P388/S cells after 72 hrs by colorimetric tetrazolium-formazan method	Mus musculus	4.8 nM
Cytotoxicity against human MKN45 cells after 72 hrs	Homo sapiens	70.0 nM
Cytotoxicity against human DLD1 cells after 72 hrs	Homo sapiens	840.0 nM
Cytotoxicity against human A2780 cells after 72 hrs by sulforhodamine B assay	Homo sapiens	6.5 nM
Cytotoxicity against human NCI-H460 cells after 72 hrs by sulforhodamine B assay	Homo sapiens	193.0 nM
Cytotoxicity against human GLC4 cells after 72 hrs by sulforhodamine B assay	Homo sapiens	0.8 nM
Antitumor activity against human A2780 cells xenografted in athymic harlan mouse assessed as tumor volume inhibition at 90 mg/kg, in administered Q4D for 4 weeks	Homo sapiens	99.8 %
Inhibition of topoisomerase-1 (unknown origin) using pBR 322 DNA as substrate	Homo sapiens	51.0 nM

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