Ligand Id: 2390
Ligand name spermidine

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 64.07
Molecular weight 145.16
XLogP -0.65
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Metabolite or derivative
DrugBank groups experimental
IUPAC Name
N-(3-aminopropyl)butane-1,4-diamine
Database Links
BindingDB Ligand 50009353
CAS Registry No. 334-50-9 (source: NCI), 124-20-9 (source: DrugBank)
ChEBI CHEBI:16610
ChEMBL Ligand 123634, 140371, 262137
DrugBank Ligand DB03566
Human Metabolome Database HMDB01257
PubChem CID 1102
RCSB PDB Ligand SPD
Search on ChemSpider ATHGHQPFGPMSJY-UHFFFAOYSA-N
Wikipedia Spermidine
ZINC ZINC01532612

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