Ligand id: 2294

Name: tubocurarine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 80.62
Molecular weight 609.3
XLogP 4.87
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Compound class Natural product or derivative
Approved drug? Yes (source: FDA (1945))
International Nonproprietary Names
INN number INN
1460 tubocurarine chloride
Database Links
CAS Registry No. 57-95-4 (source: Scifinder)
ChEMBL Ligand CHEMBL339427
DrugBank Ligand DB01199
PubChem CID 6000
Search Google for chemical match using the InChIKey JFJZZMVDLULRGK-URLMMPGGSA-O
Search Google for chemicals with the same backbone JFJZZMVDLULRGK
Search PubMed clinical trials tubocurarine chloride
Search PubMed titles tubocurarine chloride
Search PubMed titles/abstracts tubocurarine chloride
Wikipedia Tubocurarine_chloride
Tubocurarine is a skeletal muscle relaxant. The structure as specified by the FDA and the INN document shows the compound in complex with chloride (see PubChem CID 9917490). As our data specifies the parent compound, it is this structure we have chosen to display here, and which the majority of entries linked to from the table above display.