TENIPOSIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1992)
Entry Type: Small molecule
Molecule Category: Parent
ATC: L01CB02
UNII: 957E6438QA

Structure
InChI Key NRUKOCRGYNPUPR-QBPJDGROSA-N
Smile 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

Experimental and Estimated Properties

Property Name Value Unit Method
log P (octanol-water) 1.24 - EXP
Henry's Law Constant 5.78E-32 atm-m3/mole EST
Atmospheric OH Rate Constant 3.05E-10 cm3/molecule-sec EST
Melting Point 242-246 deg C EXP
Water Solubility 5.940 mg/L EST
Vapor Pressure 6.80E-26 mm Hg EST

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA topoisomerase II inhibitor PubMed FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Isomerase
- 62700 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 25
Transporter Primary active transporter ATP-binding cassette ABCC subfamily
- 20600 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Precursor Cell Lymphoblastic Leukemia-Lymphoma 3 D054198 ClinicalTrials
Leukemia 2 D007938 ClinicalTrials
Lymphoma 2 D008223 ClinicalTrials

Related Entries

MCS

Scaffolds

Side Effects from Label

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Blood and lymphatic system disorders
25.0
Metabolism and nutrition disorders
14.29
General disorders and administration site conditions
10.71
Respiratory, thoracic and mediastinal disorders
10.71
Gastrointestinal disorders
7.14
Infections and infestations
7.14
Musculoskeletal and connective tissue disorders
7.14
Ear and labyrinth disorders
3.57
Injury, poisoning and procedural complications
3.57
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
3.57
Surgical and medical procedures
3.57
Vascular disorders
3.57

Cross References

Resources Reference
CAS NUMBER 29767-20-2
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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