NITRENDIPINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: C08CA08
UNII: 9B627AW319

Structure
InChI Key PVHUJELLJLJGLN-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
BLOCKER Voltage-gated L-type calcium channel blocker Other
Primary Target
Cav1.3
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19
- 3000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- 300 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- - - - 83
Enzyme Cytochrome P450 Cytochrome P450 family 5 Cytochrome P450 family 5A Cytochrome P450 5A1
- 1000000 - - -
Enzyme Hydrolase
- - - - 1.006
Enzyme Phosphodiesterase Phosphodiesterase 1 Phosphodiesterase 1C
- 1850 - - -
Enzyme Transferase
- - - - 11.19
Enzyme
- 1000000 - - 1.006
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -9.66--7.89
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 10000-10000 - - -
Ion channel Voltage-gated ion channel Transient receptor potential channel
3800 - - - -
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 0.15-30 0.26 0.25 100
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 36000 - - 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
- - - 73310 0-0
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Adenosine receptor
- - - 23000 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 341.9
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 22500-25000 - - -
Transporter Primary active transporter ATP-binding cassette ABCG subfamily
- 21100 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension 3 D006973 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 39562-70-4
ChEBI 7582
ChEMBL CHEMBL475534
DrugBank DB01054
DrugCentral 1947
EPA CompTox DTXSID0023373
FDA SRS 9B627AW319
Human Metabolome Database HMDB0015187
Guide to Pharmacology 2334
KEGG C07713
PharmGKB PA146096020
PubChem 4507
SureChEMBL SCHEMBL38972
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