S-3APG
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- S-3APG
- DrugBank Accession Number
- DB17419
- Background
S-3APG (S-3-[3-amino-phthalimido]-glutarimide) is a derivative of thalidomide with dual activity against B-cell neoplasias.1
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 273.2441
Monoisotopic: 273.074955855 - Chemical Formula
- C13H11N3O4
- Synonyms
- S-3-[3-amino-phthalimido]-glutarimide
- External IDs
- S 3APG
- S-3APG
Pharmacology
- Indication
Not Available
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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
- 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 phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Isoindoles and derivatives
- Sub Class
- Isoindolines
- Direct Parent
- Phthalimides
- Alternative Parents
- Alpha amino acids and derivatives / Isoindoles / Piperidinediones / Delta lactams / N-substituted carboxylic acid imides / Benzenoids / Vinylogous amides / N-unsubstituted carboxylic acid imides / Dicarboximides / Azacyclic compounds show 5 more
- Substituents
- Alpha-amino acid or derivatives / Amine / Amino acid or derivatives / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carbonyl group / Carboxylic acid derivative / Carboxylic acid imide / Carboxylic acid imide, n-substituted show 18 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- dicarboximide, aromatic amine, piperidones, isoindoles (CHEBI:72690)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- UVSMNLNDYGZFPF-UHFFFAOYSA-N
- InChI
- InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)
- IUPAC Name
- 4-amino-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione
- SMILES
- NC1=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=CC=C1
References
- General References
- Lentzsch S, Rogers MS, LeBlanc R, Birsner AE, Shah JH, Treston AM, Anderson KC, D'Amato RJ: S-3-Amino-phthalimido-glutarimide inhibits angiogenesis and growth of B-cell neoplasias in mice. Cancer Res. 2002 Apr 15;62(8):2300-5. [Article]
- External Links
- Human Metabolome Database
- HMDB0256694
Clinical Trials
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 2.57 mg/mL ALOGPS logP 0.02 ALOGPS logP -0.16 Chemaxon logS -2 ALOGPS pKa (Strongest Acidic) 11.59 Chemaxon pKa (Strongest Basic) 1.56 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 109.57 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 69.03 m3·mol-1 Chemaxon Polarizability 25.76 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 162.72557 predictedDeepCCS 1.0 (2019) [M+H]+ 165.08357 predictedDeepCCS 1.0 (2019) [M+Na]+ 171.17674 predictedDeepCCS 1.0 (2019)
Drug created at January 05, 2023 22:00 / Updated at May 11, 2024 02:53