NAV

Dexniguldipine

This drug entry is astuband has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Dexniguldipine
DrugBank Accession Number
DB14068
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
 3D
Similar Structures
Weight
Average: 609.723
Monoisotopic: 609.283885988
Chemical Formula
C36H39N3O6
Synonyms
  • (+)-niguldipine
  • (R)-niguldipine
  • Dexniguldipine

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Target Actions Organism
UP-glycoprotein 1
inhibitor
 Humans
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRsBrowse all" title="" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

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This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Drug Interaction
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interactions in your software
Abaloparatide Abaloparatide may increase the hypotensive activities of Dexniguldipine.
Abametapir The serum concentration of Dexniguldipine can be increased when it is combined with Abametapir.
Abemaciclib The serum concentration of Abemaciclib can be increased when it is combined with Dexniguldipine.
Acarbose The risk or severity of hypoglycemia can be increased when Dexniguldipine is combined with Acarbose.
Acebutolol Acebutolol may increase the arrhythmogenic activities of Dexniguldipine.
Aceclofenac The therapeutic efficacy of Dexniguldipine can be decreased when used in combination with Aceclofenac.
Acemetacin The therapeutic efficacy of Dexniguldipine can be decreased when used in combination with Acemetacin.
Acetohexamide The risk or severity of hypoglycemia can be increased when Dexniguldipine is combined with Acetohexamide.
Acetyldigitoxin Acetyldigitoxin may increase the arrhythmogenic activities of Dexniguldipine.
Acetylsalicylic acid Acetylsalicylic acid may decrease the antihypertensive activities of Dexniguldipine.
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Food Interactions
Not Available

Products

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Product Ingredients
Ingredient UNII CAS InChI Key
Dexniguldipine hydrochloride 0642TZ1JZN 113145-70-3 MHOSUIMBPQVOEU-MGDILKBHSA-N

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
N9DG6ZTC43
CAS number
120054-86-6
InChI Key
SVJMLYUFVDMUHP-MGBGTMOVSA-N
InChI
InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3/t33-/m1/s1
IUPAC Name
3-[3-(4,4-diphenylpiperidin-1-yl)propyl] 5-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILES
[H]N1C(C)=C([C@@H](C2=CC(=CC=C2)[N+]([O-])=O)C(C(=O)OCCCN2CCC(CC2)(C2=CC=CC=C2)C2=CC=CC=C2)=C1C)C(=O)OC

References

General References
Not Available
ChemSpider
5293311
ChEBI
103932
ChEMBL
CHEMBL2051956
ZINC
ZINC000100057432

Clinical Trials

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Phase Status Purpose Conditions Count

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
Property Value Source
Water Solubility 0.000113 mg/mL ALOGPS
logP 6.27 ALOGPS
logP 5.6 Chemaxon
logS -6.7 ALOGPS
pKa (Strongest Acidic) 19.47 Chemaxon
pKa (Strongest Basic) 9.59 Chemaxon
Physiological Charge 1 Chemaxon
Hydrogen Acceptor Count 7 Chemaxon
Hydrogen Donor Count 1 Chemaxon
Polar Surface Area 111.01 Å2 Chemaxon
Rotatable Bond Count 12 Chemaxon
Refractivity 185.9 m3·mol-1 Chemaxon
Polarizability 66.92 Å3 Chemaxon
Number of Rings 5 Chemaxon
Bioavailability 0 Chemaxon
Rule of Five No Chemaxon
Ghose Filter No Chemaxon
Veber's Rule No Chemaxon
MDDR-like Rule Yes Chemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Targets

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Details 1.P-glycoprotein 1
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Inhibitor
General Function
Xenobiotic-transporting atpase activity
Specific Function
Energy-dependent efflux pump responsible for decreased drug accumulation in multidrug-resistant cells.
Gene Name
ABCB1
Uniprot ID
P08183
Uniprot Name
Multidrug resistance protein 1
分子量
141477.255 Da
References
  1. Hofmann J, Gekeler V, Ise W, Noller A, Mitterdorfer J, Hofer S, Utz I, Gotwald M, Boer R, Glossmann H, et al.: Mechanism of action of dexniguldipine-HCl (B8509-035), a new potent modulator of multidrug resistance. Biochem Pharmacol. 1995 Mar 1;49(5):603-9. doi: 10.1016/0006-2952(94)00479-6. [Article]

Enzymes

Details 1.Cytochrome P450 3A4
Kind
Protein
Organism
Humans
Pharmacological action
No
Actions
Substrate
General Function
Vitamin d3 25-hydroxylase activity
Specific Function
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It performs a variety of oxidation react...
Gene Name
CYP3A4
Uniprot ID
P08684
Uniprot Name
Cytochrome P450 3A4
分子量
57342.67 Da
References
  1. Uesawa Y, Takeuchi T, Mohri K: Integrated analysis on the physicochemical properties of dihydropyridine calcium channel blockers in grapefruit juice interactions. Curr Pharm Biotechnol. 2012 Jul;13(9):1705-17. [Article]

Drug created at June 14, 2018 22:32 / Updated at February 21, 2021 18:54