Ligand Id: 2524
Ligand name nisoldipine

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 107.77
Molecular weight 388.16
XLogP 4.99
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
O5-methyl O3-(2-methylpropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
International Nonproprietary Names
INN number INN
4753 nisoldipine
Synonyms
O5-methyl O3-(2-methylpropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Database Links
BindingDB Ligand 50011689
CAS Registry No. 63675-72-9 (source: Scifinder)
ChEMBL Ligand 654892
DrugBank Ligand DB00401
PharmGKB Drug PA450634
PubChem CID 4499
Search on ChemSpider VKQFCGNPDRICFG-UHFFFAOYSA-N
Wikipedia Nisoldipine
ZINC ZINC00591993, ZINC19632706

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