DCFBC 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
- DCFBC F-18
- DrugBank Accession Number
- DB14772
- Background
DCFBC F-18 is under investigation in clinical trial NCT02190279 (18F-DCFBC PET/CT in Prostate Cancer).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 401.4
Monoisotopic: 401.092234801 - Chemical Formula
- C16H19FN2O7S
- Synonyms
- 18F DCFBC
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
- TUP7882K8T
- CAS number
- 1169942-33-9
- InChI Key
- IDTMSHGCAZPVLC-STUNTBJNSA-N
- InChI
- InChI=1S/C16H19FN2O7S/c17-10-3-1-9(2-4-10)7-27-8-12(15(24)25)19-16(26)18-11(14(22)23)5-6-13(20)21/h1-4,11-12H,5-8H2,(H,20,21)(H,22,23)(H,24,25)(H2,18,19,26)/t11-,12-/m0/s1/i17-1
- IUPAC Name
- (2S)-2-({[(1R)-1-carboxy-2-({[4-(¹⁸F)fluorophenyl]methyl}sulfanyl)ethyl]carbamoyl}amino)pentanedioic acid
- SMILES
- OC(=O)CC[C@H](NC(=O)N[C@@H](CSCC1=CC=C([18F])C=C1)C(O)=O)C(O)=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 32701129
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Screening Prostate Cancer 1 1, 2 Completed Diagnostic Metastatic Prostate Cancer 1 1, 2 Completed Diagnostic Prostate Cancer 1 0 Completed Diagnostic Neoplasms of the Prostate / 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 0.09 mg/mL ALOGPS logP 0.61 ALOGPS logP 1.02 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 3.11 Chemaxon pKa (Strongest Basic) -2.5 Chemaxon Physiological Charge -3 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 153.03 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 92.14 m3·mol-1 Chemaxon Polarizability 37.9 Å3 Chemaxon Number of Rings 1 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
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0f89-0901000000-4d239b5aa2329440a9db Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-003u-0922000000-b8b029135ad0f857f583 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-052r-3911000000-98fafc6262b6ee25bb76 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0ufr-1900000000-ecbd26d5ad13da52db7b Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0pb9-1900000000-8ab743ce004977ad8df6 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0fbc-6900000000-b62a9bb2778eddc5de97 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 14:26 / Updated at June 12, 2020 16:53