This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- JHU-75528 C-11
- DrugBank Accession Number
- DB14902
- Background
JHU-75528 C-11 is under investigation in clinical trial NCT03204305 (Brain Imaging of Cannabinoid Receptors).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for JHU-75528 C-11 (DB14902)
- Weight
- Average: 469.35
Monoisotopic: 468.1186642 - Chemical Formula
- C23H21Cl2N5O2
- Synonyms
- 11C-OMAR
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
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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
- 8YHH21923L
- CAS number
- 942063-86-7
- InChI Key
- MCNQUWLLXZZZAC-BJUDXGSMSA-N
- InChI
- InChI=1S/C23H21Cl2N5O2/c1-32-17-8-5-15(6-9-17)22-18(14-26)21(23(31)28-29-11-3-2-4-12-29)27-30(22)20-10-7-16(24)13-19(20)25/h5-10,13H,2-4,11-12H2,1H3,(H,28,31)/i1-1
- IUPAC Name
- 4-cyano-1-(2,4-dichlorophenyl)-5-[4-(11C)methoxyphenyl]-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
- SMILES
- [11CH3]OC1=CC=C(C=C1)C1=C(C#N)C(=NN1C1=CC=C(Cl)C=C1Cl)C(=O)NN1CCCCC1
References
- General References
- Not Available
- External Links
- ChemSpider
- 10137859
- ChEMBL
- CHEMBL476413
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 0 Completed Basic Science Cannabis Dependence, Continuous / Cannabis Use Disorders 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 0.0161 mg/mL ALOGPS logP 4.33 ALOGPS logP 4.49 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 9.73 Chemaxon pKa (Strongest Basic) 1.14 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 83.18 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 125.17 m3·mol-1 Chemaxon Polarizability 48.54 Å3 Chemaxon Number of Rings 4 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
- Not Available
Drug created at May 20, 2019 14:33 / Updated at June 12, 2020 16:53