NAV

Emopamil

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

Identification

Generic Name
Emopamil
DrugBank Accession Number
DB14064
Background

Prevents renal injury after warm & cold ischemia.

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 334.4977
Monoisotopic: 334.24089897
Chemical Formula
C23H30N2
Synonyms
  • Emopamil
  • Emopamilo
  • Emopamilum
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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
TargetActionsOrganism
AP-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/ADRs
Not Available

Interactions

Drug Interactions
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 Emopamil can be increased when it is combined with Abametapir.
AcarboseThe risk or severity of hypoglycemia can be increased when Emopamil is combined with Acarbose.
AcebutololAcebutolol may increase the arrhythmogenic activities of Emopamil.
AceclofenacThe risk or severity of hyperkalemia can be increased when Aceclofenac is combined with Emopamil.
AcemetacinThe risk or severity of hyperkalemia can be increased when Acemetacin is combined with Emopamil.
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
M514041RF7
CAS number
78370-13-5
InChI Key
DWAWDSVKAUWFHC-UHFFFAOYSA-N
InChI
InChI=1S/C23H30N2/c1-20(2)23(19-24,22-13-8-5-9-14-22)16-10-17-25(3)18-15-21-11-6-4-7-12-21/h4-9,11-14,20H,10,15-18H2,1-3H3
IUPAC Name
5-[methyl(2-phenylethyl)amino]-2-phenyl-2-(propan-2-yl)pentanenitrile
SMILES
CC(C)C(CCCN(C)CCC1=CC=CC=C1)(C#N)C1=CC=CC=C1

References

General References
Not Available
Human Metabolome Database
HMDB0012224
KEGG Compound
C13766
ChemSpider
64360
ChEBI
34736
ChEMBL
CHEMBL173809
Wikipedia
Emopamil

Clinical Trials

Clinical Trials
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 Solubility0.00416 mg/mLALOGPS
logP5.41ALOGPS
logP5.67Chemaxon
logS-4.9ALOGPS
pKa (Strongest Basic)9.76Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area27.03 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity106.8 m3·mol-1Chemaxon
Polarizability40.65 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0005-2920000000-0f8171ce72f986b50786
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0009000000-8d39a982b40007701c5b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0109000000-1e20adf92e3126a815e8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ke9-1935000000-972db74b8469b843b80c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4r-1932000000-cde870cd5c35f15bfa8d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udr-2981000000-dc7aa4f88faa025c3f16
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0aou-0910000000-8d25cc119bc5132b802d
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]-194.161639
predicted
DarkChem Lite v0.1.0
[M-H]-178.71376
predicted
DeepCCS 1.0 (2019)
[M+H]+194.682039
predicted
DarkChem Lite v0.1.0
[M+H]+181.26408
predicted
DeepCCS 1.0 (2019)
[M+Na]+194.144739
predicted
DarkChem Lite v0.1.0
[M+Na]+189.09424
predicted
DeepCCS 1.0 (2019)

Targets

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Details1. P-glycoprotein 1
Kind
Protein
Organism
Humans
Pharmacological action
Yes
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. Abdallah HM, Al-Abd AM, El-Dine RS, El-Halawany AM: P-glycoprotein inhibitors of natural origin as potential tumor chemo-sensitizers: A review. J Adv Res. 2015 Jan;6(1):45-62. doi: 10.1016/j.jare.2014.11.008. Epub 2014 Dec 1. [Article]
  2. Genovese I, Ilari A, Assaraf YG, Fazi F, Colotti G: Not only P-glycoprotein: Amplification of the ABCB1-containing chromosome region 7q21 confers multidrug resistance upon cancer cells by coordinated overexpression of an assortment of resistance-related proteins. Drug Resist Updat. 2017 May;32:23-46. doi: 10.1016/j.drup.2017.10.003. Epub 2017 Oct 16. [Article]
  3. Sankatsing SU, Beijnen JH, Schinkel AH, Lange JM, Prins JM: P glycoprotein in human immunodeficiency virus type 1 infection and therapy. Antimicrob Agents Chemother. 2004 Apr;48(4):1073-81. [Article]

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]

Transporters

Details1. 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
Molecular Weight
141477.255 Da
References
  1. Abdallah HM, Al-Abd AM, El-Dine RS, El-Halawany AM: P-glycoprotein inhibitors of natural origin as potential tumor chemo-sensitizers: A review. J Adv Res. 2015 Jan;6(1):45-62. doi: 10.1016/j.jare.2014.11.008. Epub 2014 Dec 1. [Article]

Drug created at June 14, 2018 19:59 / Updated at February 21, 2021 18:54