NOP-1A
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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
- NOP-1A
- DrugBank Accession Number
- DB15208
- Background
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).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 420.52
Monoisotopic: 420.168305585 - Chemical Formula
- C22H26F2N2O2S
- Synonyms
- Not Available
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
- DQY244459T
- CAS number
- 1283095-70-4
- 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
References
- General References
- Not Available
- External Links
- ChemSpider
- 28525910
- BindingDB
- 50400872
- ChEMBL
- CHEMBL2088033
- ZINC
- ZINC000072317631
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 0 Completed Basic Science Alcohol Use Disorders (AUD) 1 0 Completed Basic Science Cocaine Use Disorders 1 0 Completed Basic Science Healthy Volunteers (HV) 1 0 Completed Diagnostic Anxiety / Depression / Pain 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 0.00134 mg/mL ALOGPS logP 3.35 ALOGPS logP 3.46 Chemaxon logS -5.5 ALOGPS pKa (Strongest Acidic) 15.21 Chemaxon pKa (Strongest Basic) 8.71 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 41.57 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 109.53 m3·mol-1 Chemaxon Polarizability 42.77 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
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-0001900000-791af4e19635ed0208a8 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-00kf-1009400000-00dc8eee26105370e1fa Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-022c-0009500000-9ac36b0307a37825bf7c Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-014l-9005100000-5869366042dcc80a3a92 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00r6-3294100000-291ea947ff849bf7726e Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-9013000000-eec3ea06e0203f19ebd5 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 May 20, 2019 15:00 / Updated at June 12, 2020 16:53