ONO-2952
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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
- ONO-2952
- DrugBank Accession Number
- DB14802
- Background
ONO-2952 is under investigation in clinical trial NCT01887002 (Study to Evaluate the Effects of ONO-2952 on Pain Perception Produced by Rectal Distention in Female Subjects With Diarrhea-Predominant Irritable Bowel Syndrome (IBS-D)).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 398.86
Monoisotopic: 398.1197338 - Chemical Formula
- C22H20ClFN2O2
- 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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- ZH8CPX4YNB
- CAS number
- 895169-20-7
- InChI Key
- ZBQMTQGDBFZUBG-NRFANRHFSA-N
- InChI
- InChI=1S/C22H20ClFN2O2/c1-12(27)26-11-22(8-9-22)19-18-15(24)4-3-5-16(18)25-20(19)21(26)14-7-6-13(23)10-17(14)28-2/h3-7,10,21,25H,8-9,11H2,1-2H3/t21-/m0/s1
- IUPAC Name
- 1-[(1'S)-1'-(4-chloro-2-methoxyphenyl)-5'-fluoro-1',2',3',9'-tetrahydrospiro[cyclopropane-1,4'-pyrido[3,4-b]indol]-2'-yl]ethan-1-one
- SMILES
- COC1=C(C=CC(Cl)=C1)[C@@H]1N(CC2(CC2)C2=C1NC1=C2C(F)=CC=C1)C(C)=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 9698913
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Irritable Bowel Syndrome (IBS) 1 2 Terminated Treatment Irritable Bowel Syndrome (IBS) 1 1 Completed Treatment Healthy Adult Subjects 2 1 Completed Treatment 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 0.00411 mg/mL ALOGPS logP 4.24 ALOGPS logP 3.85 Chemaxon logS -5 ALOGPS pKa (Strongest Acidic) 14.85 Chemaxon pKa (Strongest Basic) -1.3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 45.33 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 105.98 m3·mol-1 Chemaxon Polarizability 41.28 Å3 Chemaxon Number of Rings 5 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 splash10-0002-0009000000-33b138bb96d076a4375b Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-014s-7009000000-feffcf8c7c0235d7b4fd Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-052b-0009000000-ecd9d2c5aaa5a8d3da59 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9004000000-265d1d3486be5e79bf27 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-0219000000-2cb169f4e1a939e3cf0f Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9101000000-01fc75522923164dc51d 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 14:28 / Updated at June 12, 2020 16:53