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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL452231
CHEMBL452231
Compound Name TENIPOSIDE
ChEMBL Synonyms TENIPOSIDE | VUMON | VM-26
Max Phase 4 (Approved)
Trade Names VUMON
Molecular Formula C32H32O13S

Additional synonyms for CHEMBL452231 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](O[C@@H]4O[C ...
Download SMILES
Standard InChI InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8 ...
Download InChI
Standard InChI Key NRUKOCRGYNPUPR-QBPJDGROSA-N

Sources

  • Orange Book
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL452231

Molecule Features

CHEMBL452231 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
DNA topoisomerase II inhibitor DNA topoisomerase II FDA PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
LymphomaD008223EFO:0000574lymphoma2ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-LymphomaD054198EFO:0000220acute lymphoblastic leukemia3ClinicalTrials
LeukemiaD007938EFO:0000565leukemia2ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm4ATC

Clinical Data

ClinicalTrials.gov TENIPOSIDE
The Cochrane Collaboration TENIPOSIDE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
656.7 656.1564 2.75 6 160.83 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
14 3 2 13 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.94 - 1.56 1.56 3 46 0.33

Structural Alerts

There are 2 structural alerts for CHEMBL452231. To view alerts please click here.

Compound Cross References

ATC L - ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 - ANTINEOPLASTIC AGENTS
L01C - PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
L01CB - Podophyllotoxin derivatives
L01CB02 - teniposide

ChemSpider ChemSpider:NRUKOCRGYNPUPR-QBPJDGROSA-N
DailyMed teniposide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL452231



Brenda 92456 12703
DrugBank DB00444
DrugCentral 2590
eMolecules 29781184
FDA SRS 957E6438QA
Guide to Pharmacology 6843
IBM Patent System BF79C2A2C4DFDB5BF71607301C164998
MolPort MolPort-006-822-656
Nikkaji J4.519E
PDBe 9TP
PubChem 452548
PubChem: Thomson Pharma 14912717
Selleck Teniposide(Vumon)
SureChEMBL SCHEMBL3908
ZINC ZINC000004099009

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/NRUKOCRGYNPUPR-QBPJDGROSA-N spacer
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