Iberdomide
Star0
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
- 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
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
- Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API
- 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- 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
Phase Status Purpose Conditions Count 3 Not Yet Recruiting Treatment Multiple Myeloma (MM) 1 3 Not Yet Recruiting Treatment Newly Diagnosed Multiple Myeloma 1 3 Recruiting Treatment Multiple Myeloma (MM) 2 2 Active Not Recruiting Treatment Multiple Myeloma (MM) 2 2 Active Not Recruiting Treatment Multiple Myeloma at First Relapse 1
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
Property Value Source Water Solubility 0.0702 mg/mL ALOGPS logP 2.07 ALOGPS logP 1.41 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 11.61 Chemaxon pKa (Strongest Basic) 6.91 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 88.18 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 122.29 m3·mol-1 Chemaxon Polarizability 47.73 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-0003900000-556104bfb2938f860ba3 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0udu-0408900000-1d796c87c6cc5e1eb698 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0002-0010900000-9a3e0f61a846ecef5980 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0005-6265900000-5d800dc4a096c28d51d0 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0udu-0918400000-b5cfadea968d4b0fa28c Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-009j-4739700000-856b55d70e35e0a3ff93 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 205.39514 predictedDeepCCS 1.0 (2019) [M+H]+ 207.75313 predictedDeepCCS 1.0 (2019) [M+Na]+ 214.56264 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:21 / Updated at December 08, 2022 21:18