NIFEDIPINE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC C08CA05
UNII I9ZF7L6G2L
EPA CompTox DTXSID2025715

Structure

InChI Key HYIMSNHJOBLJNT-UHFFFAOYSA-N
Smiles COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]
InChI
InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H18N2O6
Molecular Weight 346.34
AlogP 2.18
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 107.77
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 25.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Voltage-gated L-type calcium channel blocker BLOCKER Wikipedia Wikipedia Wikipedia Wikipedia FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Auxiliary transport protein Calcium channel auxiliary subunit alpha2delta family
- - - - 32-73
Auxiliary transport protein Calcium channel auxiliary subunit beta family
- - - - 32-73
Auxiliary transport protein Calcium channel auxiliary subunit gamma family
- - - - 32-73
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- - - - 88
Enzyme Oxidoreductase
- - - - 0
Ion channel Voltage-gated ion channel Transient receptor potential channel
400 - - - -
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
12 1-300 0.4 1-15 0-99.47
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 26
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - -44.4-170.58
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
- - - - 95
Cavia porcellus
1.5-260 1.07-600 0.4 1.479-2 26-97
Cricetulus griseus
- 10-50 - - 75.83-170.58
Homo sapiens
- 0.8318-86 - 14.45-32 -44.4-73
Mus musculus
400 - - - 66
Oryctolagus cuniculus
- 0.5-200 0.1585 - 18.28-100
Rattus norvegicus
1-30 1.16-57.7 0.1479 0.53-4.65 0-99.47
Sus scrofa
- 3.6-10 - 1 -

Target Conservation

Protein: Voltage-gated L-type calcium channel
Description: Voltage-dependent L-type calcium channel subunit alpha-1F
Organism : Homo sapiens
O60840 ENSG00000102001
Protein: Voltage-gated L-type calcium channel
Description: Voltage-dependent L-type calcium channel subunit alpha-1D
Organism : Homo sapiens
Q01668 ENSG00000157388
Protein: Voltage-gated L-type calcium channel
Description: Voltage-dependent L-type calcium channel subunit alpha-1S
Organism : Homo sapiens
Q13698 ENSG00000081248
Protein: Voltage-gated L-type calcium channel
Description: Voltage-dependent L-type calcium channel subunit alpha-1C
Organism : Homo sapiens
Q13936 ENSG00000151067

Related Entries

Cross References

Resources Reference
ChEBI 7565
ChEMBL CHEMBL193
DrugBank DB01115
DrugCentral 1922
FDA SRS I9ZF7L6G2L
Human Metabolome Database HMDB0015247
Guide to Pharmacology 2514
KEGG C07266
PDB C5U
PharmGKB PA450631
PubChem 4485
SureChEMBL SCHEMBL3968
ZINC ZINC000085205448
CONTENTS