ORM-13070 C-11
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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
- ORM-13070 C-11
- DrugBank Accession Number
- DB15324
- Background
ORM-13070 C-11 is under investigation in clinical trial NCT00735774 (Suitability of 11C-ORM-13070 as a PET Tracer).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 354.438
Monoisotopic: 354.201025495 - Chemical Formula
- C20H25N3O3
- Synonyms
- 11C-ORM-13070
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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Y61S1UFN4Y
- CAS number
- 1227170-74-2
- InChI Key
- VGIYMYGMVXPMKV-GWDMYEQXSA-N
- InChI
- InChI=1S/C20H25N3O3/c1-24-14-16-5-4-8-21-20(16)23-11-9-22(10-12-23)13-17-15-25-18-6-2-3-7-19(18)26-17/h2-8,17H,9-15H2,1H3/t17-/m0/s1/i1-1
- IUPAC Name
- 1-{[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]methyl}-4-{3-[(11C)methoxymethyl]pyridin-2-yl}piperazine
- SMILES
- [11CH3]OCC1=CC=CN=C1N1CCN(C[C@H]2COC3=CC=CC=C3O2)CC1
References
- General References
- Not Available
- External Links
- ChemSpider
- 52085734
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Not Available Healthy Volunteers (HV) 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 0.791 mg/mL ALOGPS logP 2.36 ALOGPS logP 2.56 Chemaxon logS -2.6 ALOGPS pKa (Strongest Basic) 6.98 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 47.06 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 100.98 m3·mol-1 Chemaxon Polarizability 39.51 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 splash10-0a4i-0009000000-9596464acf366caaf9a1 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0uk9-0029000000-a1af58d4391d630a042c Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-0019000000-724c99dec8e1fb3f578f Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-0289000000-945d303f49bcc33e6cc1 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0m06-2689000000-4a1af3e21b9a724aaad8 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001c-0954000000-f6e4139a0a02d49f56f2 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 15:14 / Updated at June 12, 2020 16:53