Ligand Id: 2421
Ligand name amiloride

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 159.29
Molecular weight 229.05
XLogP -1.18
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Synthetic organic
Approved drug? Yes (source: DrugBank)
DrugBank groups approved
IUPAC Name
3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide
International Nonproprietary Names
INN number INN
2352 amiloride
Database Links
BindingDB Ligand 16173
CAS Registry No. 2016-88-8 (source: DrugBank), 2609-46-3 (source: ChEBI)
ChEBI CHEBI:2639
ChEMBL Ligand 652465, 189526
DrugBank Ligand DB00594
PharmGKB Drug PA448368
PubChem CID 16231
RCSB PDB Ligand AMR
Search on ChemSpider XSDQTOBWRPYKKA-UHFFFAOYSA-N
Wikipedia Amiloride
ZINC ZINC04340269
iPHACE HGRTB1HF

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