trabectedin

Ligand id: 2774

Name: trabectedin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 4
Topological polar surface area 194.02
Molecular weight 761.26
XLogP 1.69
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
Approved drug? Yes (source: EMA (2007), FDA (2015))
International Nonproprietary Names
INN number INN
8206 trabectedin
Synonyms
ecteinascidin 743 | ET-743 | Yondelis®
Database Links
CAS Registry No. 114899-77-3
ChEBI CHEBI:84050
ChEMBL Ligand CHEMBL450449
DrugBank Ligand DB05109
PubChem CID 108150
RCSB PDB Ligand ECT
Search Google for chemical match using the InChIKey PKVRCIRHQMSYJX-AIFWHQITSA-N
Search Google for chemicals with the same backbone PKVRCIRHQMSYJX
Search PubMed clinical trials trabectedin
Search PubMed titles trabectedin
Search PubMed titles/abstracts trabectedin
Search UniChem for chemical match using the InChIKey PKVRCIRHQMSYJX-AIFWHQITSA-N
Search UniChem for chemicals with the same backbone PKVRCIRHQMSYJX
Wikipedia Trabectedin
Comments
The ecteinascidins (Ets) are natural products derived from marine tunicates. Being a natural substance, there is some ambiguity in the literature as to the exact chemical structure of trabectin, therefore representations of the compound on the external resource links may vary slightly from that shown here. Trabectin is now produced synthetically.