This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- MIP-1095 I-123
- DrugBank Accession Number
- DB12994
- Background
123 I Mip 1095 is under investigation in clinical trial NCT00712829 (Study to Evaluate the Safety, Pharmacokinetics, Tissue Distribution, Metabolism and Dosimetry of Two Prostate Cancer Imaging Agents).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for MIP-1095 I-123 (DB12994)
- Weight
- Average: 560.335
Monoisotopic: 560.072836725 - Chemical Formula
- C19H25IN4O8
- Synonyms
- Not Available
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
- Not Available
- 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 / N-phenylureas / Tricarboxylic acids and derivatives / Iodobenzenes / Aryl iodides / Ureas / Carboxylic acids / Organopnictogen compounds / Organonitrogen compounds / Organoiodides show 3 more
- Substituents
- Aromatic homomonocyclic compound / Aryl halide / Aryl iodide / Benzenoid / Carbonic acid derivative / Carbonyl group / Carboxylic acid / Glutamic acid or derivatives / Halobenzene / Hydrocarbon derivative show 15 more
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- HD4940602J
- CAS number
- 949575-25-1
- InChI Key
- LFEGKCKGGNXWDV-NKNRFTOXSA-N
- InChI
- InChI=1S/C19H25IN4O8/c20-11-4-6-12(7-5-11)22-18(31)21-10-2-1-3-13(16(27)28)23-19(32)24-14(17(29)30)8-9-15(25)26/h4-7,13-14H,1-3,8-10H2,(H,25,26)(H,27,28)(H,29,30)(H2,21,22,31)(H2,23,24,32)/t13-,14-/m0/s1/i20-4
- IUPAC Name
- (2S)-2-({[(1S)-1-carboxy-5-({[4-(¹²³I)iodophenyl]carbamoyl}amino)pentyl]carbamoyl}amino)pentanedioic acid
- SMILES
- OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)NC1=CC=C([123I])C=C1)C(O)=O)C(O)=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 25168442
- PubChem Substance
- 347829132
- ChemSpider
- 24708821
- ChEMBL
- CHEMBL498623
- ZINC
- ZINC000101669568
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 0.101 mg/mL ALOGPS logP 1.03 ALOGPS logP 1.35 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 3.09 Chemaxon Physiological Charge -3 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 7 Chemaxon Polar Surface Area 194.16 Å2 Chemaxon Rotatable Bond Count 13 Chemaxon Refractivity 120.13 m3·mol-1 Chemaxon Polarizability 49.2 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]- 200.30125 predictedDeepCCS 1.0 (2019) [M+H]+ 202.69681 predictedDeepCCS 1.0 (2019) [M+Na]+ 208.60936 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 01:51 / Updated at June 12, 2020 16:53