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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL305666
CHEMBL305666
Compound Name LURTOTECAN
ChEMBL Synonyms GI147211C | LURTOTECAN | LURTOTECAN DIHYDROCHLORIDE
Max Phase 0
Trade Names
Molecular Formula C28H30N4O6

Additional synonyms for CHEMBL305666 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4c(CN5CCN(C)CC5)c6cc7OCCOc7cc ...
Download SMILES
Standard InChI InChI=1S/C28H30N4O6/c1-3-28(35)20-11-22-25-18(14-32(22)26(33 ...
Download InChI
Standard InChI Key RVFGKBWWUQOIOU-NDEPHWFRSA-N

Sources

  • GSK Malaria Screening
  • Scientific Literature
  • St Jude Leishmania Screening
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL305666

Molecule Features

CHEMBL305666 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov LURTOTECAN
The Cochrane Collaboration LURTOTECAN

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL305666. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL1781 DNA topoisomerase I Homo sapiens 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1781 DNA topoisomerase I Homo sapiens 1.000
CHEMBL2524 Alpha-galactosidase A Homo sapiens 0.998
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 0.885
CHEMBL4372 Anthrax lethal factor Bacillus anthracis 0.510

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
518.6 518.2165 1.56 3 104.67 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 1 1 10 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.2 7.44 1.31 .99 2 38 0.61

Structural Alerts

There are 1 structural alerts for CHEMBL305666. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RVFGKBWWUQOIOU-NDEPHWFRSA-N
Wikipedia Lurtotecan

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL305666



ACToR 149882-10-0
BindingDB 50036130
DrugBank DB12222
EPA CompTox Dashboard DTXSID30164422
FDA SRS 4J1L80T08I
IBM Patent System 4A366B13E9D03F84BF06C24502A0E260
Nikkaji J658.084J
PubChem 60956
PubChem: Drugs of the Future 12014791
PubChem: Thomson Pharma 14909576 14860589
SureChEMBL SCHEMBL19208
ZINC ZINC000022010625

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