Ligand Id: 1624
Ligand name etonitazene

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 10
Topological polar surface area 73.43
Molecular weight 396.22
XLogP 5.24
No. Lipinski's rules broken 1

Molecular properties generated using the CDK


Summary Biological activity References Structure
Classification
Compound class Synthetic organic
DrugBank groups illicit; experimental
IUPAC Name
2-[2-[(4-ethoxyphenyl)methyl]-5-nitrobenzimidazol-1-yl]-N,N-diethylethanamine
International Nonproprietary Names
INN number INN
1073 etonitazene
Synonyms
2-[2-[(4-ethoxyphenyl)methyl]-5-nitro-benzoimidazol-1-yl]-N,N-diethyl-ethan amine
Database Links
BindingDB Ligand 50013847
CAS Registry No. 911-65-9 (source: DrugBank)
ChEBI CHEBI:231189
ChEMBL Ligand 231189
DrugBank Ligand DB01462
PubChem CID 13493
Search Google for chemical match using the InChIKey PXDBZSCGSQSKST-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PXDBZSCGSQSKST
Search PubMed clinical trials etonitazene
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Search PubMed titles/abstracts etonitazene
Wikipedia Etonitazene
ZINC ZINC04215955

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