NAV

Ciforadenant

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
3D
Similar Structures
Weight
Average: 407.434
Monoisotopic: 407.170587564
Chemical Formula
C20H21N7O3
Synonyms
  • Ciforadenant
External IDs
  • CPI-444
  • V-81444
  • V81444
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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
ChemSpider
67896526
ChEMBL
CHEMBL4297184

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceParkinson's Disease (PD)2
1CompletedOtherHealthy Volunteers (HV)1
1CompletedTreatmentBladder 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 Cancer1
1CompletedTreatmentMetastatic Castration-Resistant Prostate Cancer (mCRPC) / Renal Cell Carcinoma (RCC)1
1CompletedTreatmentMultiple 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
PropertyValueSource
Water Solubility0.22 mg/mLALOGPS
logP2.07ALOGPS
logP1.46Chemaxon
logS-3.3ALOGPS
pKa (Strongest Acidic)15.76Chemaxon
pKa (Strongest Basic)3.14Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area127 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity119.43 m3·mol-1Chemaxon
Polarizability42.93 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0000900000-5e064e412cf650d5c1e0
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4r-0019700000-759df9689b46dd6264f4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0009300000-94f541af57b566e79954
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ap0-2029200000-ec5e0407c40d4b9fefa5
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-05g3-0149000000-c7fd6666c304106edb34
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0i00-0391000000-bf3f00cdd28916628a2a
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:13 / Updated at February 21, 2021 18:55