NITRENDIPINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC C08CA08
UNII 9B627AW319
EPA CompTox DTXSID0023373

Structure

InChI Key PVHUJELLJLJGLN-UHFFFAOYSA-N
Smiles CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1
InChI
InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H20N2O6
Molecular Weight 360.37
AlogP 2.57
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 107.77
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
Voltage-gated L-type calcium channel blocker BLOCKER Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- - - - 83
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 0.15-30 0.26 0.25 34-100
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 23.1
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) PAF receptor
- - - - 0-0
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 77.72-341.9
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- 0.15 0.26 - 23.1
Cricetulus griseus
- 30 - - 77.72-341.9
Homo sapiens
- 3 - - 100
Mus musculus
- 16 - - -
Oryctolagus cuniculus
- 1 - - 0-62
Rattus norvegicus
0.3162-30 0.72-10 - 0.46 -6-34
Sus scrofa
- - - 0.25 -

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 7582
ChEMBL CHEMBL475534
DrugBank DB01054
DrugCentral 1947
FDA SRS 9B627AW319
Human Metabolome Database HMDB0015187
Guide to Pharmacology 2334
KEGG C07713
PharmGKB PA146096020
PubChem 4507
SureChEMBL SCHEMBL38972
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