Ligand Id: 2514
Ligand name nifedipine

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 107.77
Molecular weight 346.12
XLogP 3.91
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
dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
International Nonproprietary Names
INN number INN
3222 nifedipine
Synonyms
Adalat
Cordipin
dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Nifediac
Nifedical
Procardia
Database Links
BindingDB Ligand 50000778
CAS Registry No. 21829-25-4 (source: DrugBank)
ChEBI CHEBI:7565
ChEMBL Ligand 519596
DrugBank Ligand DB01115
NURSA Ligand 919
PharmGKB Drug PA450631
PubChem CID 4485
Search on ChemSpider HYIMSNHJOBLJNT-UHFFFAOYSA-N
Wikipedia Nifedipine
ZINC ZINC19594578

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