TENIPOSIDE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC L01CB02
UNII 957E6438QA

Structure

InChI Key NRUKOCRGYNPUPR-QBPJDGROSA-N
Smiles COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O
InChI
InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H32O13S
Molecular Weight 656.66
AlogP 2.75
Hydrogen Bond Acceptor 14.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 160.83
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 46.0

Pharmacology

Mechanism of Action Action Reference
DNA topoisomerase II inhibitor INHIBITOR PubMed FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 25.44-32.58
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 25.44-32.58
Homo sapiens
- 15.8-480 - - -

Target Conservation

Protein: DNA topoisomerase II
Description: DNA topoisomerase 2-alpha
Organism : Homo sapiens
P11388 ENSG00000131747
Protein: DNA topoisomerase II
Description: DNA topoisomerase 2-beta
Organism : Homo sapiens
Q02880 ENSG00000077097

Related Entries

Cross References

Resources Reference
ChEBI 75988
ChEMBL CHEMBL452231
DrugBank DB00444
DrugCentral 2590
FDA SRS 957E6438QA
Guide to Pharmacology 6843
PDB 9TP
PubChem 452548
SureChEMBL SCHEMBL3908
ZINC ZINC000004099009
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