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

Identification

Generic Name
LY-295501
DrugBank Accession Number
DB12574
Background

ILX-295501 has been used in trials studying the treatment of Ovarian Cancer, Metastatic Cancer, Fallopian Tube Cancer, and Primary Peritoneal Cavity Cancer.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 387.23
Monoisotopic: 385.9894834
Chemical Formula
C15H12Cl2N2O4S
Synonyms
Not Available
External IDs
  • ILX-295501
  • LY295501

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
N-phenylureas
Direct Parent
N-phenylureas
Alternative Parents
Coumarans / Dichlorobenzenes / Sulfonylureas / Alkyl aryl ethers / Aryl chlorides / Organosulfonic acids and derivatives / Aminosulfonyl compounds / Organic carbonic acids and derivatives / Oxacyclic compounds / Organopnictogen compounds
show 4 more
Substituents
1,2-dichlorobenzene / Alkyl aryl ether / Aminosulfonyl compound / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Carbonic acid derivative / Carbonyl group / Chlorobenzene / Coumaran
show 19 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
240Y4YO0TN
CAS number
150869-74-2
InChI Key
VAMFSFIPDOODFH-UHFFFAOYSA-N
InChI
InChI=1S/C15H12Cl2N2O4S/c16-12-3-1-10(8-13(12)17)18-15(20)19-24(21,22)11-2-4-14-9(7-11)5-6-23-14/h1-4,7-8H,5-6H2,(H2,18,19,20)
IUPAC Name
1-(3,4-dichlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-sulfonyl)urea
SMILES
ClC1=C(Cl)C=C(NC(=O)NS(=O)(=O)C2=CC=C3OCCC3=C2)C=C1

References

General References
Not Available
PubChem Compound
127737
PubChem Substance
347828796
ChemSpider
113312
ChEMBL
CHEMBL307177

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2WithdrawnTreatmentFallopian Tubes Cancer / Metastatic Cancers / Ovarian Cancer / Primary Peritoneal Cavity 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 Solubility0.00833 mg/mLALOGPS
logP4.03ALOGPS
logP3.57ChemAxon
logS-4.7ALOGPS
pKa (Strongest Acidic)3.6ChemAxon
pKa (Strongest Basic)-4.9ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area84.5 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity92.3 m3·mol-1ChemAxon
Polarizability36.06 Å3ChemAxon
Number of Rings3ChemAxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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

Drug created at October 20, 2016 22:58 / Updated at June 12, 2020 16:53