Ligand Id: 710
Ligand name spermine

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 11
Topological polar surface area 76.1
Molecular weight 202.22
XLogP -0.68
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Metabolite or derivative
Approved drug? Yes (source: DrugBank)
DrugBank groups approved; nutraceutical
IUPAC Name
N,N'-bis(3-aminopropyl)butane-1,4-diamine
Database Links
BindingDB Ligand 50009369
CAS Registry No. 71-44-3 (source: DrugBank), 306-67-2 (source: NCI)
ChEBI CHEBI:15746
ChEMBL Ligand 130697
DrugBank Ligand DB00127
Human Metabolome Database HMDB01256
PharmGKB Drug PA164781199
PubChem CID 1103
RCSB PDB Ligand SPM
Search on ChemSpider PFNFFQXMRSDOHW-UHFFFAOYSA-N
Wikipedia Spermine
ZINC ZINC01532734
iPHACE K6HB3N78

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org

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