S-3304

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

Identification

Name
S-3304
Accession Number
DB12149
Type
Small Molecule
Groups
Investigational
Description

S-3304 has been used in trials studying the treatment of Lung Cancer, Solid Tumors, Non Small Cell Lung Cancer, Stage IIIB Non Small Cell Lung Cancer, and Stage IIIA Non Small Cell Lung Cancer, among others.

Structure
Thumb
Synonyms
Not Available
External IDs
S 3304 / S-3304
Categories
UNII
BK459F050X
CAS number
203640-27-1
Weight
Average: 464.55
Monoisotopic: 464.08644948
Chemical Formula
C24H20N2O4S2
InChI Key
YWCLDDLVLSQGSZ-JOCHJYFZSA-N
InChI
InChI=1S/C24H20N2O4S2/c1-16-6-8-17(9-7-16)10-11-19-12-13-23(31-19)32(29,30)26-22(24(27)28)14-18-15-25-21-5-3-2-4-20(18)21/h2-9,12-13,15,22,25-26H,14H2,1H3,(H,27,28)/t22-/m1/s1
IUPAC Name
(2R)-3-(1H-indol-3-yl)-2-{5-[2-(4-methylphenyl)ethynyl]thiophene-2-sulfonamido}propanoic acid
SMILES
CC1=CC=C(C=C1)C#CC1=CC=C(S1)S(=O)(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(O)=O

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
DrugInteractionDrug group
AbacavirThe serum concentration of Abacavir can be decreased when it is combined with S-3304.Approved, Investigational
AlfuzosinThe serum concentration of Alfuzosin can be increased when it is combined with S-3304.Approved, Investigational
AlprazolamThe serum concentration of Alprazolam can be increased when it is combined with S-3304.Approved, Illicit, Investigational
Ambroxol acefyllinateThe serum concentration of Ambroxol acefyllinate can be decreased when it is combined with S-3304.Experimental, Investigational
AmineptineThe serum concentration of Amineptine can be increased when it is combined with S-3304.Illicit, Withdrawn
AminophyllineThe serum concentration of Aminophylline can be decreased when it is combined with S-3304.Approved
AmitriptylineThe serum concentration of Amitriptyline can be increased when it is combined with S-3304.Approved
AmitriptylinoxideThe serum concentration of Amitriptylinoxide can be increased when it is combined with S-3304.Approved, Investigational
AmoxapineThe serum concentration of Amoxapine can be increased when it is combined with S-3304.Approved
BoceprevirThe serum concentration of S-3304 can be decreased when it is combined with Boceprevir.Approved, Withdrawn
BromocriptineThe serum concentration of Bromocriptine can be increased when it is combined with S-3304.Approved, Investigational
ButriptylineThe serum concentration of Butriptyline can be increased when it is combined with S-3304.Approved
CabergolineThe serum concentration of Cabergoline can be increased when it is combined with S-3304.Approved
CarbamazepineThe metabolism of S-3304 can be increased when combined with Carbamazepine.Approved, Investigational
ClarithromycinThe therapeutic efficacy of Clarithromycin can be decreased when used in combination with S-3304.Approved
ClomipramineThe serum concentration of Clomipramine can be increased when it is combined with S-3304.Approved, Investigational, Vet Approved
CyclophosphamideThe risk or severity of adverse effects can be increased when S-3304 is combined with Cyclophosphamide.Approved, Investigational
CyclosporineThe serum concentration of Cyclosporine can be increased when it is combined with S-3304.Approved, Investigational, Vet Approved
DelavirdineThe serum concentration of Delavirdine can be decreased when it is combined with S-3304.Approved
DesipramineThe serum concentration of Desipramine can be increased when it is combined with S-3304.Approved, Investigational
DibenzepinThe serum concentration of Dibenzepin can be increased when it is combined with S-3304.Experimental
DiethylstilbestrolThe serum concentration of Diethylstilbestrol can be decreased when it is combined with S-3304.Approved, Investigational
DigoxinThe serum concentration of Digoxin can be increased when it is combined with S-3304.Approved
DihydroergotamineThe serum concentration of Dihydroergotamine can be increased when it is combined with S-3304.Approved, Investigational
DiltiazemThe metabolism of Diltiazem can be decreased when combined with S-3304.Approved, Investigational
DimetacrineThe serum concentration of Dimetacrine can be increased when it is combined with S-3304.Approved, Withdrawn
DosulepinThe serum concentration of Dosulepin can be increased when it is combined with S-3304.Approved
DoxepinThe serum concentration of Doxepin can be increased when it is combined with S-3304.Approved, Investigational
DyphyllineThe serum concentration of Dyphylline can be decreased when it is combined with S-3304.Approved
EnfuvirtideThe serum concentration of Enfuvirtide can be increased when it is combined with S-3304.Approved, Investigational
Ergoloid mesylateThe serum concentration of Ergoloid mesylate can be increased when it is combined with S-3304.Approved
ErgonovineThe serum concentration of Ergonovine can be increased when it is combined with S-3304.Approved
ErgotamineThe serum concentration of Ergotamine can be increased when it is combined with S-3304.Approved
EstradiolThe serum concentration of Estradiol can be decreased when it is combined with S-3304.Approved, Investigational, Vet Approved
Estradiol cypionateThe serum concentration of Estradiol cypionate can be decreased when it is combined with S-3304.Approved, Investigational, Vet Approved
Estradiol valerateThe serum concentration of Estradiol valerate can be decreased when it is combined with S-3304.Approved, Investigational, Vet Approved
Ethinyl EstradiolThe serum concentration of Ethinyl Estradiol can be decreased when it is combined with S-3304.Approved
EtravirineThe serum concentration of Etravirine can be decreased when it is combined with S-3304.Approved
GarlicThe serum concentration of S-3304 can be decreased when it is combined with Garlic.Approved, Nutraceutical
ImipramineThe serum concentration of Imipramine can be increased when it is combined with S-3304.Approved
IprindoleThe serum concentration of Iprindole can be increased when it is combined with S-3304.Experimental
LofepramineThe serum concentration of Lofepramine can be increased when it is combined with S-3304.Experimental
LovastatinThe serum concentration of Lovastatin can be increased when it is combined with S-3304.Approved, Investigational
MelitracenThe serum concentration of Melitracen can be increased when it is combined with S-3304.Experimental, Investigational
MestranolThe serum concentration of Mestranol can be decreased when it is combined with S-3304.Approved
MethylergometrineThe serum concentration of Methylergometrine can be increased when it is combined with S-3304.Approved
MidazolamThe serum concentration of Midazolam can be increased when it is combined with S-3304.Approved, Illicit
NefazodoneThe serum concentration of Nefazodone can be increased when it is combined with S-3304.Approved, Withdrawn
NortriptylineThe serum concentration of Nortriptyline can be increased when it is combined with S-3304.Approved
OpipramolThe serum concentration of Opipramol can be increased when it is combined with S-3304.Investigational
PethidineThe risk or severity of adverse effects can be increased when S-3304 is combined with Pethidine.Approved
ProtriptylineThe serum concentration of Protriptyline can be increased when it is combined with S-3304.Approved
RiociguatThe serum concentration of Riociguat can be increased when it is combined with S-3304.Approved
SildenafilThe serum concentration of Sildenafil can be increased when it is combined with S-3304.Approved, Investigational
SimvastatinThe serum concentration of Simvastatin can be increased when it is combined with S-3304.Approved
St. John's WortThe metabolism of S-3304 can be increased when combined with St. John's Wort.Approved, Investigational, Nutraceutical
TacrolimusThe metabolism of Tacrolimus can be decreased when combined with S-3304.Approved, Investigational
TemsirolimusThe risk or severity of adverse effects can be increased when S-3304 is combined with Temsirolimus.Approved
TheophyllineThe serum concentration of Theophylline can be decreased when it is combined with S-3304.Approved
TianeptineThe serum concentration of Tianeptine can be increased when it is combined with S-3304.Approved, Investigational
TipranavirThe serum concentration of S-3304 can be decreased when it is combined with Tipranavir.Approved, Investigational
TriazolamThe serum concentration of Triazolam can be increased when it is combined with S-3304.Approved, Investigational
TrimipramineThe serum concentration of Trimipramine can be increased when it is combined with S-3304.Approved
Valproic AcidThe serum concentration of Valproic Acid can be decreased when it is combined with S-3304.Approved, Investigational
VerapamilThe metabolism of Verapamil can be decreased when combined with S-3304.Approved
ZidovudineThe serum concentration of Zidovudine can be decreased when it is combined with S-3304.Approved
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
10718956
PubChem Substance
347828445
ChemSpider
8894295
BindingDB
50063129
ChEMBL
CHEMBL297792

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentTumors, Solid1
1CompletedTreatmentUnspecified Adult Solid Tumor, Protocol Specific1
1, 2CompletedTreatmentLung Cancer Non-Small Cell Cancer (NSCLC) / Lung Cancers / Stage IIIA Non Small Cell Lung Cancer / Stage IIIB Non Small Cell Lung Cancer1

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 Solubility0.00163 mg/mLALOGPS
logP2.93ALOGPS
logP5.32ChemAxon
logS-5.4ALOGPS
pKa (Strongest Acidic)3.37ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area99.26 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity118.32 m3·mol-1ChemAxon
Polarizability49.31 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
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 alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
3-alkylindoles / Toluenes / 2,5-disubstituted thiophenes / Substituted pyrroles / Organosulfonamides / Heteroaromatic compounds / Aminosulfonyl compounds / Monocarboxylic acids and derivatives / Carboxylic acids / Azacyclic compounds
show 4 more
Substituents
Alpha-amino acid or derivatives / 3-alkylindole / Indole / Indole or derivatives / Toluene / 2,5-disubstituted thiophene / Monocyclic benzene moiety / Substituted pyrrole / Organosulfonic acid amide / Benzenoid
show 20 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:28 / Updated on June 02, 2018 08:35