ISO-1 F-18
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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
- ISO-1 F-18
- DrugBank Accession Number
- DB14900
- Background
ISO-1 F-18 is under investigation in clinical trial NCT00968656 (Assessment of Cellular Proliferation in Tumors by Positron Emission Tomography (PET) Using [18F]ISO-1).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 443.55
Monoisotopic: 443.244970218 - Chemical Formula
- C25H33FN2O4
- Synonyms
- [18F]ISO-1
- F-18-ISO
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
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 3G67X40A29
- CAS number
- 945992-47-2
- InChI Key
- QVRVXSZKCXFBTE-KPVNRNJOSA-N
- InChI
- InChI=1S/C25H33FN2O4/c1-18-6-7-22(32-13-9-26)21(14-18)25(29)27-10-4-5-11-28-12-8-19-15-23(30-2)24(31-3)16-20(19)17-28/h6-7,14-16H,4-5,8-13,17H2,1-3H3,(H,27,29)/i26-1
- IUPAC Name
- N-[4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)butyl]-2-[2-(¹⁸F)fluoroethoxy]-5-methylbenzamide
- SMILES
- COC1=C(OC)C=C2CN(CCCCNC(=O)C3=C(OCC[18F])C=CC(C)=C3)CCC2=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 20569206
- ChEMBL
- CHEMBL227072
- ZINC
- ZINC000101083658
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Active Not Recruiting Diagnostic Breast Cancer / Breast Neoplasms 1 1 Completed Diagnostic Breast Cancer / Diffuse Large B-Cell Lymphoma (DLBCL) / Head And Neck Cancer 1 Not Available Terminated Not Available Lung Disorder 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 0.00691 mg/mL ALOGPS logP 3.54 ALOGPS logP 3.65 Chemaxon logS -4.8 ALOGPS pKa (Strongest Acidic) 14.2 Chemaxon pKa (Strongest Basic) 8 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 60.03 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 124.52 m3·mol-1 Chemaxon Polarizability 50.47 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 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 splash10-0002-0023900000-bd8c5e28be85f046c269 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0002-2009400000-48ffc8139fc195bba044 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-0049000000-029401a36d19e3db1358 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-05ot-1429000000-15b82c55503f69a9cd2c Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-000b-0962200000-7856c6c96feedf46d627 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-017s-0659100000-31ea112df44a0818aeb8 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 20, 2019 14:33 / Updated at June 12, 2020 16:53