Sarpogrelate

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

Identification

Generic Name
Sarpogrelate
DrugBank Accession Number
DB12163
Background

Sarpogrelate has been investigated for the treatment of Diabetes Mellitus, Diabetic Nephropathy, Coronary Artery Disease, and Renal Insufficiency, Chronic.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 429.513
Monoisotopic: 429.215137722
Chemical Formula
C24H31NO6
Synonyms
  • Sarpogrelate

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
U5-hydroxytryptamine receptor 2CNot AvailableHumans
U5-hydroxytryptamine receptor 2A
inverse agonist
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
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when Sarpogrelate is combined with 1,2-Benzodiazepine.
AbciximabThe risk or severity of bleeding can be increased when Sarpogrelate is combined with Abciximab.
AbrocitinibThe risk or severity of bleeding and thrombocytopenia can be increased when Sarpogrelate is combined with Abrocitinib.
AceclofenacThe risk or severity of bleeding can be increased when Aceclofenac is combined with Sarpogrelate.
AcemetacinThe risk or severity of bleeding can be increased when Acemetacin is combined with Sarpogrelate.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Sarpogrelate HydrochlorideFQN8N8QP1B135159-51-2POQBIDFFYCYHOB-UHFFFAOYSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
Kingdom
Organic compounds
Super Class
Phenylpropanoids and polyketides
Class
Stilbenes
Sub Class
Not Available
Direct Parent
Stilbenes
Alternative Parents
Phenoxy compounds / Methoxybenzenes / Anisoles / Fatty acid esters / Alkyl aryl ethers / Dicarboxylic acids and derivatives / Trialkylamines / Carboxylic acid esters / Amino acids / Carboxylic acids
show 4 more
Substituents
Alkyl aryl ether / Amine / Amino acid / Amino acid or derivatives / Anisole / Aromatic homomonocyclic compound / Benzenoid / Carbonyl group / Carboxylic acid / Carboxylic acid derivative
show 19 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
19P708E787
CAS number
125926-17-2
InChI Key
FFYNAVGJSYHHFO-UHFFFAOYSA-N
InChI
InChI=1S/C24H31NO6/c1-25(2)16-21(31-24(28)14-13-23(26)27)17-30-22-10-5-4-8-19(22)12-11-18-7-6-9-20(15-18)29-3/h4-10,15,21H,11-14,16-17H2,1-3H3,(H,26,27)
IUPAC Name
4-{[1-(dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}propan-2-yl]oxy}-4-oxobutanoic acid
SMILES
COC1=CC(CCC2=CC=CC=C2OCC(CN(C)C)OC(=O)CCC(O)=O)=CC=C1

References

General References
Not Available
PubChem Compound
5160
PubChem Substance
347828455
ChemSpider
4976
BindingDB
50093789
ChEBI
135697
ChEMBL
CHEMBL52939
Wikipedia
Sarpogrelate

Clinical Trials

Clinical Trials

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 Solubility0.0109 mg/mLALOGPS
logP3.57ALOGPS
logP1.12Chemaxon
logS-4.6ALOGPS
pKa (Strongest Acidic)3.78Chemaxon
pKa (Strongest Basic)8.15Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area85.3 Å2Chemaxon
Rotatable Bond Count14Chemaxon
Refractivity117.35 m3·mol-1Chemaxon
Polarizability46.89 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
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/MSsplash10-0w29-3966300000-f752b5ddccb35daa6e71
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-1952000000-176d0a2b3a539e3222b2
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f89-9722000000-e6abb5a14efb8ee53952
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03mj-9376000000-b78ddfe05a40640be4c0
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-08gi-9611000000-14d19f1360254739d589
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fi0-5290000000-58ff5a701fb0ed0925df
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]-196.68904
predicted
DeepCCS 1.0 (2019)
[M+H]+199.04704
predicted
DeepCCS 1.0 (2019)
[M+Na]+206.21684
predicted
DeepCCS 1.0 (2019)

Targets

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Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Serotonin receptor activity
Specific Function
G-protein coupled receptor for 5-hydroxytryptamine (serotonin). Also functions as a receptor for various drugs and psychoactive substances, including ergot alkaloid derivatives, 1-2,5,-dimethoxy-4-...
Gene Name
HTR2C
Uniprot ID
P28335
Uniprot Name
5-hydroxytryptamine receptor 2C
Molecular Weight
51820.705 Da
References
  1. Muntasir HA, Takahashi J, Rashid M, Ahmed M, Komiyama T, Hossain M, Kawakami J, Nashimoto M, Nagatomo T: Site-directed mutagenesis of the serotonin 5-Hydroxytryptamine2c receptor: identification of amino acids responsible for sarpogrelate binding. Biol Pharm Bull. 2006 Aug;29(8):1645-50. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Inverse agonist
General Function
Virus receptor activity
Specific Function
G-protein coupled receptor for 5-hydroxytryptamine (serotonin). Also functions as a receptor for various drugs and psychoactive substances, including mescaline, psilocybin, 1-(2,5-dimethoxy-4-iodop...
Gene Name
HTR2A
Uniprot ID
P28223
Uniprot Name
5-hydroxytryptamine receptor 2A
Molecular Weight
52602.58 Da
References
  1. Muntasir HA, Bhuiyan MA, Ishiguro M, Ozaki M, Nagatomo T: Inverse agonist activity of sarpogrelate, a selective 5-HT2A-receptor antagonist, at the constitutively active human 5-HT2A receptor. J Pharmacol Sci. 2006 Oct;102(2):189-95. Epub 2006 Oct 7. [Article]
  2. Aly SA, Hossain M, Bhuiyan MA, Nakamura T, Nagatomo T: Assessment of binding affinity to 5-hydroxytryptamine 2A (5-HT2A) receptor and inverse agonist activity of naftidrofuryl: comparison with those of sarpogrelate. J Pharmacol Sci. 2009 Aug;110(4):445-50. [Article]

Drug created at October 20, 2016 21:30 / Updated at February 21, 2021 18:53