NAV

Darodipine

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

Identification

Generic Name
Darodipine
DrugBank Accession Number
DB09234
Background

Darodipine is a calcium channel blocker.

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 371.393
Monoisotopic: 371.148120788
Chemical Formula
C19H21N3O5
Synonyms
  • Darodipine
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
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/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
DrugInteraction
Integrate drug-drug
interactions in your software
AbametapirThe serum concentration of Darodipine can be increased when it is combined with Abametapir.
AcarboseThe risk or severity of hypoglycemia can be increased when Darodipine is combined with Acarbose.
AcebutololAcebutolol may increase the arrhythmogenic activities of Darodipine.
AceclofenacThe risk or severity of hyperkalemia can be increased when Aceclofenac is combined with Darodipine.
AcemetacinThe risk or severity of hyperkalemia can be increased when Darodipine is combined with Acemetacin.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as benzoxadiazoles. These are organic compounds containing a benzene fused to an oxadiazole ring (a five-membered ring with two carbon atoms, one nitrogen atom, and one oxygen atom).
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzoxadiazoles
Sub Class
Not Available
Direct Parent
Benzoxadiazoles
Alternative Parents
Dihydropyridinecarboxylic acids and derivatives / Dicarboxylic acids and derivatives / Benzenoids / Vinylogous amides / Heteroaromatic compounds / Furazans / Enoate esters / Amino acids and derivatives / Enamines / Dialkylamines
show 5 more
Substituents
Alpha,beta-unsaturated carboxylic ester / Amine / Amino acid or derivatives / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid / Benzoxadiazole / Carbonyl group / Carboxylic acid derivative
show 20 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
N4AL7X96GL
CAS number
72803-02-2
InChI Key
QERUYFVNIOLCHV-UHFFFAOYSA-N
InChI
InChI=1S/C19H21N3O5/c1-5-25-18(23)14-10(3)20-11(4)15(19(24)26-6-2)16(14)12-8-7-9-13-17(12)22-27-21-13/h7-9,16,20H,5-6H2,1-4H3
IUPAC Name
3,5-diethyl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILES
CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OCC

References

General References
Not Available
PubChem Compound
51701
PubChem Substance
310265138
ChemSpider
46790
ChEMBL
CHEMBL2104154
ZINC
ZINC000000608297
Wikipedia
Darodipine

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount

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 Solubility0.258 mg/mLALOGPS
logP4.08ALOGPS
logP1.94Chemaxon
logS-3.2ALOGPS
pKa (Strongest Acidic)19.45Chemaxon
pKa (Strongest Basic)-3.3Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area103.55 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity100.41 m3·mol-1Chemaxon
Polarizability37.67 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00fr-0029000000-5a919737b4095a02e66f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0009000000-dd1077331aeb4a853020
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0095000000-7e50503c479b489a44aa
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-003v-0194000000-d6141ec03e2841b22da5
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fi0-0192000000-55f84b9b0e4e268fe775
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fba-0195000000-579ad1f0af12b286bc2c
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-199.0225572
predicted
DarkChem Lite v0.1.0
[M-H]-184.3615
predicted
DeepCCS 1.0 (2019)
[M+H]+198.5505572
predicted
DarkChem Lite v0.1.0
[M+H]+186.7195
predicted
DeepCCS 1.0 (2019)
[M+Na]+198.2368572
predicted
DarkChem Lite v0.1.0
[M+Na]+194.52415
predicted
DeepCCS 1.0 (2019)

Enzymes

Details1. 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
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. [Article]

Drug created at October 23, 2015 16:27 / Updated at February 21, 2021 18:52