NAV

Iberdomide

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

Identification

Generic Name
Iberdomide
DrugBank Accession Number
DB12101
Background

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

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 449.507
Monoisotopic: 449.195070981
Chemical Formula
C25H27N3O5
Synonyms
  • (S)-3-(4-((4-(Morpholinomethyl)benzyl)oxy)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
  • 2,6-Piperidinedione, 3-(1,3-dihydro-4-((4-(4-morpholinylmethyl)phenyl)methoxy)-1-oxo-2H-isoindol-2-yl)-, (3S)-
External IDs
  • CC-220
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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 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
Alkyl aryl ether / Alpha-amino acid or derivatives / Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Benzylamine / Carbonyl group
show 29 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
8V66F27X44
CAS number
1323403-33-3
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

References

General References
Not Available
PubChem Compound
67335295
PubChem Substance
347828405
ChemSpider
52085251
BindingDB
65497
ChEMBL
CHEMBL3989927
ZINC
ZINC000118417658
PDBe Ligand
8W7
PDB Entries
5v3o / 7ps9 / 8d80 / 8u15

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Not Yet RecruitingTreatmentNewly Diagnosed Multiple Myeloma1
3RecruitingTreatmentMultiple Myeloma (MM)3
2Active Not RecruitingTreatmentMultiple Myeloma (MM)2
2Active Not RecruitingTreatmentMultiple Myeloma at First Relapse1
2CompletedTreatmentSystemic Lupus Erythematosus2

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/MSsplash10-0udi-0003900000-556104bfb2938f860ba3
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udu-0408900000-1d796c87c6cc5e1eb698
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0010900000-9a3e0f61a846ecef5980
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0005-6265900000-5d800dc4a096c28d51d0
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udu-0918400000-b5cfadea968d4b0fa28c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-009j-4739700000-856b55d70e35e0a3ff93
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-205.39514
predicted
DeepCCS 1.0 (2019)
[M+H]+207.75313
predicted
DeepCCS 1.0 (2019)
[M+Na]+214.56264
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:21 / Updated at December 08, 2022 21:18