nifedipine

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


Classification
Compound class Synthetic organic
Approved drug? Yes (source: FDA (1981))
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
BAY-A-1040
Database Links
BindingDB Ligand 50000778
CAS Registry No. 21829-25-4
ChEBI CHEBI:7565
ChEMBL Ligand CHEMBL193
DrugBank Ligand DB01115
NURSA Ligand 919
PharmGKB Drug PA450631
PubChem CID 4485
Search Google for chemical match using the InChIKey HYIMSNHJOBLJNT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HYIMSNHJOBLJNT
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Wikipedia Nifedipine
ZINC ZINC19594578