This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Iofolastat I-123
- DrugBank Accession Number
- DB12514
- Background
Iofolastat I-123 is under investigation in clinical trial NCT00992745 (A Phase I Pilot Study Comparing 123I MIP 1072 Versus 111In Capromab Pendetide in Subjects With Metastatic Prostate Cancer).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Iofolastat I-123 (DB12514)
- Weight
- Average: 531.337
Monoisotopic: 531.082673133 - Chemical Formula
- C19H26IN3O7
- Synonyms
- Iofolastat (123 I)
- External IDs
- 123-I-MIP-1072
- MIP 1072
- MIP-1072
Pharmacology
- Indication
Not Available
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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 glutamic acid and derivatives. These are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Glutamic acid and derivatives
- Alternative Parents
- N-carbamoyl-alpha amino acids / Tricarboxylic acids and derivatives / Phenylmethylamines / Benzylamines / Amino fatty acids / Aralkylamines / Iodobenzenes / Aryl iodides / Ureas / Amino acids show 7 more
- Substituents
- Amine / Amino acid / Amino fatty acid / Aralkylamine / Aromatic homomonocyclic compound / Aryl halide / Aryl iodide / Benzenoid / Benzylamine / Carbonic acid derivative show 23 more
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- AQF0A29T2V
- CAS number
- 949575-24-0
- InChI Key
- OXUUJYOSVPMNKP-ZANJDRPYSA-N
- InChI
- InChI=1S/C19H26IN3O7/c20-13-6-4-12(5-7-13)11-21-10-2-1-3-14(17(26)27)22-19(30)23-15(18(28)29)8-9-16(24)25/h4-7,14-15,21H,1-3,8-11H2,(H,24,25)(H,26,27)(H,28,29)(H2,22,23,30)/t14-,15-/m0/s1/i20-4
- IUPAC Name
- (2S)-2-({[(1S)-1-carboxy-5-({[4-(¹²³I)iodophenyl]methyl}amino)pentyl]carbamoyl}amino)pentanedioic acid
- SMILES
- OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNCC1=CC=C([123I])C=C1)C(O)=O)C(O)=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 25194767
- PubChem Substance
- 347828745
- ChemSpider
- 24707633
- ChEMBL
- CHEMBL496978
- ZINC
- ZINC000100529249
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Diagnostic Prostate Cancer 2 Not Available Withdrawn Not Available Prostate Cancer 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 0.0925 mg/mL ALOGPS logP 0.82 ALOGPS logP -0.97 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 2.83 Chemaxon pKa (Strongest Basic) 9.54 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 165.06 Å2 Chemaxon Rotatable Bond Count 14 Chemaxon Refractivity 114.95 m3·mol-1 Chemaxon Polarizability 46.59 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No 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]- 199.07925 predictedDeepCCS 1.0 (2019) [M+H]+ 201.47481 predictedDeepCCS 1.0 (2019) [M+Na]+ 207.38734 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 22:40 / Updated at June 12, 2020 16:53