NOP-1A

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
NOP-1A
Accession Number
DB15208
Type
Small Molecule
Groups
Investigational
Description

NOP-1A is under investigation in clinical trial NCT01198197 (PET Brain and Whole Body Distribution Studies for Nociceptin/Orphanin FQ Peptide (NOP) Receptor Using [11C]NOP-1A).

Structure
Thumb
Synonyms
Not Available
Categories
Not Available
UNII
DQY244459T
CAS number
1283095-70-4
Weight
Average: 420.52
Monoisotopic: 420.168305585
Chemical Formula
C22H26F2N2O2S
InChI Key
MZBCQWLYUQJXKA-KRWDZBQOSA-N
InChI
InChI=1S/C22H26F2N2O2S/c1-25-21(27)17(12-15-4-2-3-5-18(15)23)14-26-9-7-22(8-10-26)20-16(6-11-28-22)13-19(24)29-20/h2-5,13,17H,6-12,14H2,1H3,(H,25,27)/t17-/m0/s1
IUPAC Name
(2S)-2-({2'-fluoro-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-1-yl}methyl)-3-(2-fluorophenyl)-N-methylpropanamide
SMILES
CNC(=O)[C@H](CN1CCC2(CC1)OCCC1=C2SC(F)=C1)CC1=CC=CC=C1F

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
28525910
BindingDB
50400872
ChEMBL
CHEMBL2088033

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
0CompletedDiagnosticDepression / Feeling Anxious / Pain NOS1
0RecruitingBasic ScienceAlcohol Use Disorder (AUD)1
0RecruitingBasic ScienceCocaine 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 Solubility0.00134 mg/mLALOGPS
logP3.35ALOGPS
logP3.46ChemAxon
logS-5.5ALOGPS
pKa (Strongest Acidic)15.21ChemAxon
pKa (Strongest Basic)8.71ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area41.57 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity109.53 m3·mol-1ChemAxon
Polarizability42.77 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
Not Available

Taxonomy

Classification
Not classified

Drug created on May 20, 2019 09:00 / Updated on May 21, 2019 12:38