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

Identification

Name
Gallopamil
Accession Number
DB12923
Type
Small Molecule
Groups
Investigational
Description

Gallopamil has been used in trials studying the treatment of Asthma.

Structure
Thumb
Synonyms
Not Available
Product Ingredients
IngredientUNIICASInChI Key
Gallopamil HydrochlorideVT4VR32A0T16662-46-7OKCRIUNHEQSXFD-UHFFFAOYSA-N
Categories
UNII
39WPC8JHR8
CAS number
16662-47-8
Weight
Average: 484.637
Monoisotopic: 484.293722396
Chemical Formula
C28H40N2O5
InChI Key
XQLWNAFCTODIRK-UHFFFAOYSA-N
InChI
InChI=1S/C28H40N2O5/c1-20(2)28(19-29,22-17-25(33-6)27(35-8)26(18-22)34-7)13-9-14-30(3)15-12-21-10-11-23(31-4)24(16-21)32-5/h10-11,16-18,20H,9,12-15H2,1-8H3
IUPAC Name
5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)pentanenitrile
SMILES
COC1=CC(=CC(OC)=C1OC)C(CCCN(C)CCC1=CC(OC)=C(OC)C=C1)(C#N)C(C)C

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
(R)-warfarinThe metabolism of Gallopamil can be decreased when combined with (R)-warfarin.
(S)-WarfarinThe metabolism of (S)-Warfarin can be decreased when combined with Gallopamil.
2,4-thiazolidinedioneThe risk or severity of hypoglycemia can be increased when Gallopamil is combined with 2,4-thiazolidinedione.
3,5-diiodothyropropionic acidThe metabolism of Gallopamil can be decreased when combined with 3,5-diiodothyropropionic acid.
4-hydroxycoumarinThe metabolism of 4-hydroxycoumarin can be decreased when combined with Gallopamil.
5-androstenedioneThe metabolism of Gallopamil can be decreased when combined with 5-androstenedione.
6-Deoxyerythronolide BThe metabolism of Gallopamil can be decreased when combined with 6-Deoxyerythronolide B.
6-O-benzylguanineThe metabolism of Gallopamil can be decreased when combined with 6-O-benzylguanine.
AbafunginThe therapeutic efficacy of Abafungin can be increased when used in combination with Gallopamil.
AbemaciclibThe serum concentration of Abemaciclib can be increased when it is combined with Gallopamil.
Food Interactions
Not Available

References

General References
Not Available
External Links
KEGG Compound
C13764
PubChem Compound
1234
PubChem Substance
347829068
ChemSpider
1197
BindingDB
82061
ChEBI
34772
ChEMBL
CHEMBL51149
Wikipedia
Gallopamil
ATC Codes
C08DA02 — Gallopamil

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAsthma Bronchial1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00548 mg/mLALOGPS
logP4.42ALOGPS
logP4.89ChemAxon
logS-5ALOGPS
pKa (Strongest Basic)9.68ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area73.18 Å2ChemAxon
Rotatable Bond Count14ChemAxon
Refractivity139.11 m3·mol-1ChemAxon
Polarizability55.51 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
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 phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Phenylbutylamines
Direct Parent
Phenylbutylamines
Alternative Parents
Dimethoxybenzenes / Phenylpropanes / Phenethylamines / Phenoxy compounds / Anisoles / Aralkylamines / Alkyl aryl ethers / Trialkylamines / Nitriles / Organopnictogen compounds
show 1 more
Substituents
Phenylbutylamine / Dimethoxybenzene / O-dimethoxybenzene / Phenethylamine / Phenylpropane / Anisole / Phenol ether / Phenoxy compound / Methoxybenzene / Alkyl aryl ether
show 14 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
organic amino compound, benzenes (CHEBI:34772)

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]
  2. Suzuki A, Iida I, Tanaka F, Akimoto M, Fukushima K, Tani M, Ishizaki T, Chiba K: Identification of human cytochrome P-450 isoforms involved in metabolism of R(+)- and S(-)-gallopamil: utility of in vitro disappearance rate. Drug Metab Dispos. 1999 Nov;27(11):1254-9. [PubMed:10534309]

Drug created on October 20, 2016 19:18 / Updated on November 02, 2018 09:12