Rabacfosadine
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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
- Rabacfosadine
- DrugBank Accession Number
- DB12762
- Background
Rabacfosadine has been used in trials studying the treatment of Multiple Myeloma, Non-Hodgkin's Lymphoma, and Chronic Lymphocytic Leukemia.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 526.535
Monoisotopic: 526.241717877 - Chemical Formula
- C21H35N8O6P
- Synonyms
- Rabacfosadine
- External IDs
- GS-9219
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 alpha amino acid esters. These are ester derivatives of alpha amino acids.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Alpha amino acid esters
- Alternative Parents
- Alanine and derivatives / 6-alkylaminopurines / Aminopyrimidines and derivatives / N-substituted imidazoles / Imidolactams / Dicarboxylic acids and derivatives / Organic phosphonic acids and derivatives / Heteroaromatic compounds / Carboxylic acid esters / Azacyclic compounds show 5 more
- Substituents
- 6-alkylaminopurine / 6-aminopurine / Alanine or derivatives / Alpha-amino acid ester / Amine / Aminopyrimidine / Aromatic heteropolycyclic compound / Azacycle / Azole / Carbonyl group show 19 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- M39BO43J9W
- CAS number
- 859209-74-8
- InChI Key
- ANSPEDQTHURSFQ-KBPBESRZSA-N
- InChI
- InChI=1S/C21H35N8O6P/c1-5-34-19(30)13(3)27-36(32,28-14(4)20(31)35-6-2)12-33-10-9-29-11-23-16-17(24-15-7-8-15)25-21(22)26-18(16)29/h11,13-15H,5-10,12H2,1-4H3,(H2,27,28,32)(H3,22,24,25,26)/t13-,14-/m0/s1
- IUPAC Name
- ethyl (2S)-2-{[({2-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]ethoxy}methyl)({[(2S)-1-ethoxy-1-oxopropan-2-yl]amino})phosphoryl]amino}propanoate
- SMILES
- CCOC(=O)[C@H](C)NP(=O)(COCCN1C=NC2=C(NC3CC3)N=C(N)N=C12)N[C@@H](C)C(=O)OCC
References
- General References
- Not Available
- External Links
- PubChem Compound
- 16047979
- PubChem Substance
- 347828948
- ChemSpider
- 13176386
- 2003595
- ChEMBL
- CHEMBL1823518
- ZINC
- ZINC000034893919
- Wikipedia
- Rabacfosadine
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1, 2 Terminated Treatment Chronic Lymphocytic Leukemia / Multiple Myeloma (MM) / Non-Hodgkin's Lymphoma (NHL) 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 0.336 mg/mL ALOGPS logP 0.62 ALOGPS logP -0.096 Chemaxon logS -3.2 ALOGPS pKa (Strongest Acidic) 12.41 Chemaxon pKa (Strongest Basic) 5.81 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 184.61 Å2 Chemaxon Rotatable Bond Count 17 Chemaxon Refractivity 133.52 m3·mol-1 Chemaxon Polarizability 52.56 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes 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]- 239.1164611 predictedDarkChem Lite v0.1.0 [M-H]- 211.39603 predictedDeepCCS 1.0 (2019) [M+H]+ 239.5301611 predictedDarkChem Lite v0.1.0 [M+H]+ 213.7916 predictedDeepCCS 1.0 (2019) [M+Na]+ 239.7251611 predictedDarkChem Lite v0.1.0 [M+Na]+ 219.70412 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 00:05 / Updated at February 21, 2021 18:53