CC-220

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
CC-220
Accession Number
DB12101
Type
Small Molecule
Groups
Investigational
Description

CC-220 has been used in trials studying the treatment of Systemic Lupus Erythematosus.

Structure
Thumb
Synonyms
Not Available
Categories
Not Available
UNII
8V66F27X44
CAS number
1323403-33-3
Weight
Average: 449.507
Monoisotopic: 449.195070981
Chemical Formula
C25H27N3O5
InChI Key
IXZOHGPZAQLIBH-NRFANRHFSA-N
InChI
InChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)/t21-/m0/s1
IUPAC Name
(3S)-3-[4-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1-oxo-2,3-dihydro-1H-isoindol-2-yl]piperidine-2,6-dione
SMILES
O=C1N(CC2=C1C=CC=C2OCC1=CC=C(CN2CCOCC2)C=C1)[C@H]1CCC(=O)NC1=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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
67335295
PubChem Substance
347828405
ChemSpider
52085251
BindingDB
65497
ChEMBL
CHEMBL3989927
HET
8W7
PDB Entries
5v3o

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableHealthy Volunteers2
1CompletedTreatmentHealthy Volunteers2
1CompletedTreatmentPharmacokinetics1
1Not Yet RecruitingTreatmentHealthy Volunteers / Hepatic Impairment1
1, 2RecruitingTreatmentMultiple Myeloma (MM)1
2CompletedTreatmentSystemic Lupus Erythematosus (SLE)1
2RecruitingTreatmentSystemic Lupus Erythematosus (SLE)1
2WithdrawnTreatmentSarcoidosis1

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 Solubility0.0702 mg/mLALOGPS
logP2.07ALOGPS
logP1.41ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)11.61ChemAxon
pKa (Strongest Basic)6.91ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area88.18 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity122.29 m3·mol-1ChemAxon
Polarizability47.73 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
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 isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Isoindoles and derivatives
Sub Class
Isoindolines
Direct Parent
Isoindolones
Alternative Parents
Alpha amino acids and derivatives / Isoindoles / Benzylamines / Phenol ethers / Phenylmethylamines / Piperidinediones / Delta lactams / Alkyl aryl ethers / Aralkylamines / Morpholines
show 10 more
Substituents
Alpha-amino acid or derivatives / Isoindolone / Isoindole / Benzylamine / Piperidinedione / Phenylmethylamine / Phenol ether / Alkyl aryl ether / Delta-lactam / Aralkylamine
show 29 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:21 / Updated on June 04, 2019 07:31