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

Identification

Name
Darodipine
Accession Number
DB09234
Type
Small Molecule
Groups
Experimental
Description

Darodipine is a calcium channel blocker.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
N4AL7X96GL
CAS number
72803-02-2
Weight
Average: 371.393
Monoisotopic: 371.148120788
Chemical Formula
C19H21N3O5
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

Pharmacology

Indication
Not Available
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
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 Darodipine.
AcepromazineThe risk or severity of hypotension can be increased when Acepromazine is combined with Darodipine.
AlbaconazoleThe therapeutic efficacy of Albaconazole can be increased when used in combination with Darodipine.
AlclometasoneThe metabolism of Darodipine can be decreased when combined with Alclometasone.
AlcuroniumDarodipine may increase the neuromuscular blocking activities of Alcuronium.
AlfuzosinThe risk or severity of hypotension can be increased when Alfuzosin is combined with Darodipine.
AmcinonideThe metabolism of Darodipine can be decreased when combined with Amcinonide.
Aminosalicylic AcidDarodipine may increase the anticoagulant activities of Aminosalicylic Acid.
AmiodaroneThe metabolism of Darodipine can be decreased when combined with Amiodarone.
AmitriptylineThe metabolism of Amitriptyline can be decreased when combined with Darodipine.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
51701
PubChem Substance
310265138
ChemSpider
46790
ChEMBL
CHEMBL2104154
Wikipedia
Darodipine

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 Solubility0.258 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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
Benzoxadiazole / Dihydropyridinecarboxylic acid derivative / Dihydropyridine / Dicarboxylic acid or derivatives / Benzenoid / Hydropyridine / Azole / Heteroaromatic compound / Furazan / Vinylogous amide
show 20 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

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 October 23, 2015 10:27 / Updated on August 26, 2018 02:04