This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Dexniguldipine
Accession Number
DB14068
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
  • (+)-niguldipine
  • (R)-niguldipine
Product Ingredients
IngredientUNIICASInChI Key
Dexniguldipine hydrochloride0642TZ1JZN113145-70-3MHOSUIMBPQVOEU-MGDILKBHSA-N
Categories
UNII
N9DG6ZTC43
CAS number
120054-86-6
Weight
Average: 609.723
Monoisotopic: 609.283885988
Chemical Formula
C36H39N3O6
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

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
TargetActionsOrganism
UMultidrug resistance protein 1
inhibitor
Human
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
AbafunginThe therapeutic efficacy of Abafungin can be increased when used in combination with Dexniguldipine.
AbemaciclibThe serum concentration of Abemaciclib can be increased when it is combined with Dexniguldipine.
AcebutololThe serum concentration of Acebutolol can be increased when it is combined with Dexniguldipine.
AceclofenacThe therapeutic efficacy of Dexniguldipine can be decreased when used in combination with Aceclofenac.
AcemetacinThe therapeutic efficacy of Dexniguldipine can be decreased when used in combination with Acemetacin.
AcepromazineThe risk or severity of hypotension can be increased when Acepromazine is combined with Dexniguldipine.
AcetazolamideThe metabolism of Dexniguldipine can be decreased when combined with Acetazolamide.
Acetylsalicylic acidDexniguldipine may increase the anticoagulant activities of Acetylsalicylic acid.
AfatinibThe serum concentration of Afatinib can be increased when it is combined with Dexniguldipine.
AlbaconazoleThe therapeutic efficacy of Albaconazole can be increased when used in combination with Dexniguldipine.
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
5293311
ChEBI
103932
ChEMBL
CHEMBL2051956

Clinical Trials

Clinical Trials
Not Available

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
PropertyValueSource
Water Solubility0.000113 mg/mLALOGPS
logP6.27ALOGPS
logP5.6ChemAxon
logS-6.7ALOGPS
pKa (Strongest Acidic)19.47ChemAxon
pKa (Strongest Basic)9.59ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area111.01 Å2ChemAxon
Rotatable Bond Count12ChemAxon
Refractivity185.9 m3·mol-1ChemAxon
Polarizability66.92 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Taxonomy

Classification
Not classified

Targets

Kind
Protein
Organism
Human
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
Molecular Weight
141477.255 Da
References
  1. Fox E, Bates SE: Tariquidar (XR9576): a P-glycoprotein drug efflux pump inhibitor. Expert Rev Anticancer Ther. 2007 Apr;7(4):447-59. doi: 10.1586/14737140.7.4.447. [PubMed:17428165]
  2. Kaur V, Garg T, Rath G, Goyal AK: Therapeutic potential of nanocarrier for overcoming to P-glycoprotein. J Drug Target. 2014 Dec;22(10):859-70. doi: 10.3109/1061186X.2014.947295. Epub 2014 Aug 7. [PubMed:25101945]

Enzymes

Kind
Protein
Organism
Human
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
Molecular Weight
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. [PubMed:22039822]

Drug created on June 14, 2018 16:32 / Updated on October 01, 2018 16:56