NAV

JHU-75528 C-11

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
3D
Similar Structures
Weight
Average: 469.35
Monoisotopic: 468.1186642
Chemical Formula
C23H21Cl2N5O2
Synonyms
  • 11C-OMAR
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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
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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
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
ChemSpider
10137859
ChEMBL
CHEMBL476413

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
0CompletedBasic ScienceCannabis Dependence, Continuous / Cannabis Use Disorders1

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 Solubility0.0161 mg/mLALOGPS
logP4.33ALOGPS
logP4.49Chemaxon
logS-4.5ALOGPS
pKa (Strongest Acidic)9.73Chemaxon
pKa (Strongest Basic)1.14Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area83.18 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity125.17 m3·mol-1Chemaxon
Polarizability48.54 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
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/MSsplash10-00di-0000900000-2dea75c29b91ffc8b1fa
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0004900000-c50e04af6a4819ce0138
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0004900000-40cfd58723d261e5fa46
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kf-3029500000-0f919743a166b5ae50e7
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-006x-1216900000-0e4f7e3ab2f09e49a996
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9001200000-d7a52be8b7aafd1a256e
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:33 / Updated at June 12, 2020 16:53