NAV

RS-39604

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

Identification

Generic Name
RS-39604
DrugBank Accession Number
DB17050
Background

RS-39604 is a selective 5-HT4 receptor antagonist.1

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 554.1
Monoisotopic: 553.2013348
Chemical Formula
C26H36ClN3O6S
Synonyms
  • Methanesulfonamide, n-(2-(4-(3-(4-amino-5-chloro-2-((3,5-dimethoxyphenyl)methoxy)phenyl)-3-oxopropyl)-1-piperidinyl)ethyl)-
External IDs
  • RS 39604
  • RS-39604
Poor quality drug data slowing you down?
Unlock 38% more drug discovery time and eliminate decision-making doubts with this one-stop guide to quality drug data.
Download eBook
Poor quality drug data slowing you down?
Download eBook

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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.
Not Available
Food Interactions
Not Available

Products

Drug product information from 10+ global regions
Our datasets provide approved product information including:
dosage, form, labeller, route of administration, and marketing period.
Access now
Access drug product information from over 10 global regions.
Access now
Product Ingredients
IngredientUNIICASInChI Key
RS-39604 hydrochloride22Z87M1U21167710-87-4Not applicable

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
0RP0I19CSC
CAS number
161362-65-8
InChI Key
BKVIWGRFRKLFIO-UHFFFAOYSA-N
InChI
InChI=1S/C26H36ClN3O6S/c1-34-20-12-19(13-21(14-20)35-2)17-36-26-16-24(28)23(27)15-22(26)25(31)5-4-18-6-9-30(10-7-18)11-8-29-37(3,32)33/h12-16,18,29H,4-11,17,28H2,1-3H3
IUPAC Name
N-{2-[4-(3-{4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl}-3-oxopropyl)piperidin-1-yl]ethyl}methanesulfonamide
SMILES
COC1=CC(OC)=CC(COC2=CC(N)=C(Cl)C=C2C(=O)CCC2CCN(CCNS(C)(=O)=O)CC2)=C1

References

General References
  1. Hegde SS, Bonhaus DW, Johnson LG, Leung E, Clark RD, Eglen RM: RS 39604: a potent, selective and orally active 5-HT4 receptor antagonist. Br J Pharmacol. 1995 Jul;115(6):1087-95. doi: 10.1111/j.1476-5381.1995.tb15922.x. [Article]
ChemSpider
4319521
BindingDB
82273
ChEBI
64083
ChEMBL
CHEMBL66114
ZINC
ZINC000026267226

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.0046 mg/mLALOGPS
logP3.53ALOGPS
logP2.19Chemaxon
logS-5.1ALOGPS
pKa (Strongest Acidic)11.35Chemaxon
pKa (Strongest Basic)7.78Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area120.19 Å2Chemaxon
Rotatable Bond Count12Chemaxon
Refractivity145.87 m3·mol-1Chemaxon
Polarizability59.5 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at October 11, 2022 18:23 / Updated at December 13, 2022 10:46