Ciforadenant
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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
- Ciforadenant
- DrugBank Accession Number
- DB16125
- Background
Ciforadenant is under investigation in clinical trial NCT02253745 (Safety, Tolerability, PK & Efficacy of V81444 in Volunteers With Attention Deficit/ Hyperactivity Disorder (ADHD)).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 407.434
Monoisotopic: 407.170587564 - Chemical Formula
- C20H21N7O3
- Synonyms
- Ciforadenant
- External IDs
- CPI-444
- V-81444
- V81444
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
- 8KFO2187CP
- CAS number
- 1202402-40-1
- InChI Key
- KURQKNMKCGYWRJ-HNNXBMFYSA-N
- InChI
- InChI=1S/C20H21N7O3/c1-12-5-6-16(30-12)17-18-19(24-20(21)23-17)27(26-25-18)9-13-3-2-4-14(22-13)10-29-15-7-8-28-11-15/h2-6,15H,7-11H2,1H3,(H2,21,23,24)/t15-/m0/s1
- IUPAC Name
- 7-(5-methylfuran-2-yl)-3-[(6-{[(3S)-oxolan-3-yloxy]methyl}pyridin-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
- SMILES
- CC1=CC=C(O1)C1=C2N=NN(CC3=CC=CC(CO[C@H]4CCOC4)=N3)C2=NC(N)=N1
References
- General References
- Not Available
- External Links
- ChemSpider
- 67896526
- ChEMBL
- CHEMBL4297184
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Basic Science Parkinson's Disease (PD) 2 1 Completed Other Healthy Volunteers (HV) 1 1 Completed Treatment Bladder Cancer / Cervical Cancer / Colorectal Cancer / Endometrial Cancer / Metastatic Castration-Resistant Prostate Cancer (mCRPC) / Non-Hodgkin's Lymphoma (NHL) / Non-Small Cell Lung Cancer (NSCLC) / Ovarian Cancer / Pancreatic Cancer / Renal Cell Carcinoma (RCC) / Sarcomas / Squamous Cell Carcinoma of the Head and Neck (SCCHN) / Triple-Negative Breast Cancer 1 1 Completed Treatment Metastatic Castration-Resistant Prostate Cancer (mCRPC) / Renal Cell Carcinoma (RCC) 1 1 Completed Treatment Multiple Myeloma (MM) 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 0.22 mg/mL ALOGPS logP 2.07 ALOGPS logP 1.46 Chemaxon logS -3.3 ALOGPS pKa (Strongest Acidic) 15.76 Chemaxon pKa (Strongest Basic) 3.14 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 127 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 119.43 m3·mol-1 Chemaxon Polarizability 42.93 Å3 Chemaxon Number of Rings 5 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 splash10-0a4i-0000900000-5e064e412cf650d5c1e0 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4r-0019700000-759df9689b46dd6264f4 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-000i-0009300000-94f541af57b566e79954 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0ap0-2029200000-ec5e0407c40d4b9fefa5 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-05g3-0149000000-c7fd6666c304106edb34 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0i00-0391000000-bf3f00cdd28916628a2a 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 December 15, 2020 18:13 / Updated at February 21, 2021 18:55