Brief Information of the Compound and Protein
Compound Name
(S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]florene-3,13-dione
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PubChem ID
CID: 24360
SID: 14827597
Canonical SMILES
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O
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Compound Formula C20H16N2O4
Compound Structure
Protein Name
DNA topoisomerase 1
Protein Classification
Enzyme
>
Isomerase
Uniprot ID
P11387
Gene Name
TOP1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000018 HL-60 Homo sapiens (Human)  1
1
IC50 = 680 nM
   TI
   LI
   LO
   TS
CL000083 MCF-7 Homo sapiens (Human)  1
1
IC50 = 2500 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 25 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 350 nM
2 IC50 = 300 nM
3 IC50 = 679 nM
4 IC50 = 700 nM
5 IC50 = 2200 nM
6 IC50 = 2430 nM
7 IC50 = 20000 nM
8 IC50 = 27000 nM
9 IC50 = 62000 nM
10 IC50 = 62900 nM