eribulin

Ligand id: 6813

Name: eribulin

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 146.39
Molecular weight 729.41
XLogP 0.56
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2010), EMA (2011))
International Nonproprietary Names
INN number INN
8854 eribulin
Synonyms
E7389 | ER 086526 | Halaven® | NSC-707389
Database Links
CAS Registry No. 253128-41-5
ChEBI CHEBI:63587
ChEMBL Ligand CHEMBL1683590
DrugBank Ligand DB08871
PubChem CID 11354606
RCSB PDB Ligand 6K9
Search Google for chemical match using the InChIKey UFNVPOGXISZXJD-JBQZKEIOSA-N
Search Google for chemicals with the same backbone UFNVPOGXISZXJD
Search PubMed clinical trials eribulin
Search PubMed titles eribulin
Search PubMed titles/abstracts eribulin
Search UniChem for chemical match using the InChIKey UFNVPOGXISZXJD-JBQZKEIOSA-N
Search UniChem for chemicals with the same backbone UFNVPOGXISZXJD
Wikipedia Eribulin
Comments
A pan tubulin inhibitor which is a fully synthetic macrocyclic ketone analogue of the marine sponge natural product halichondrin B (a mitosis inhibitor). Marketed formulations may contain eribulin mesylate (PubChem CID 17755248).