4SC-202

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

Identification

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Name
4SC-202
Accession Number
DB13101
Type
Small Molecule
Groups
Investigational
Description

4SC-202 has been used in trials studying the treatment of Advanced Hematologic Malignancies.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
264ARM7UXX
CAS number
910462-43-0
Weight
Average: 447.51
Monoisotopic: 447.13651073
Chemical Formula
C23H21N5O3S
InChI Key
PRXXYMVLYKJITB-IZZDOVSWSA-N
InChI
InChI=1S/C23H21N5O3S/c1-27-16-19(14-25-27)18-7-9-20(10-8-18)32(30,31)28-13-12-17(15-28)6-11-23(29)26-22-5-3-2-4-21(22)24/h2-16H,24H2,1H3,(H,26,29)/b11-6+
IUPAC Name
(2E)-N-(2-aminophenyl)-3-{1-[4-(1-methyl-1H-pyrazol-4-yl)benzenesulfonyl]-1H-pyrrol-3-yl}prop-2-enamide
SMILES
CN1C=C(C=N1)C1=CC=C(C=C1)S(=O)(=O)N1C=CC(\C=C\C(=O)NC2=CC=CC=C2N)=C1

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
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

References

General References
Not Available
External Links
PubChem Compound
15985904
PubChem Substance
347829225
ChemSpider
13117252

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentAdvanced Hematologic Malignancies1
1, 2RecruitingTreatmentMalignant Melanoma1
2RecruitingTreatmentGI Cancer / Malignancies1

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 Solubility0.0279 mg/mLALOGPS
logP2.87ALOGPS
logP2.83ChemAxon
logS-4.2ALOGPS
pKa (Strongest Acidic)14.37ChemAxon
pKa (Strongest Basic)3.28ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area112.01 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity137.86 m3·mol-1ChemAxon
Polarizability47.92 Å3ChemAxon
Number of Rings4ChemAxon
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 phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Azoles
Sub Class
Pyrazoles
Direct Parent
Phenylpyrazoles
Alternative Parents
2'-Aminoanilides / Benzenesulfonamides / Benzenesulfonyl compounds / N-arylamides / Aniline and substituted anilines / Substituted pyrroles / Sulfonyls / Organosulfonic acids and derivatives / Heteroaromatic compounds / Secondary carboxylic acid amides
show 6 more
Substituents
Phenylpyrazole / Benzenesulfonamide / 2'-aminoanilide / Benzenesulfonyl group / Anilide / N-arylamide / Aniline or substituted anilines / Monocyclic benzene moiety / Substituted pyrrole / Benzenoid
show 21 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 21:06 / Updated on December 02, 2019 09:49