ORG-25935
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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
- ORG-25935
- DrugBank Accession Number
- DB12220
- Background
Org 25935 has been used in trials studying the treatment of Alcoholism, Schizophrenia, and Panic Disorder.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 339.435
Monoisotopic: 339.183443669 - Chemical Formula
- C21H25NO3
- Synonyms
- Not Available
- External IDs
- ORG 25935
- SCH 900435
- SCH-900435
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
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Org 25935 Hydrochloride H6MSM69SSM 1146978-08-6 SDTLOODMXMDJFX-JKSHRDEXSA-N
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Tetralins
- Sub Class
- Not Available
- Direct Parent
- Tetralins
- Alternative Parents
- Alpha amino acids / Anisoles / Aralkylamines / Alkyl aryl ethers / Benzene and substituted derivatives / Trialkylamines / Amino acids / Monocarboxylic acids and derivatives / Carboxylic acids / Organic oxides show 2 more
- Substituents
- Alkyl aryl ether / Alpha-amino acid / Alpha-amino acid or derivatives / Amine / Amino acid / Amino acid or derivatives / Anisole / Aralkylamine / Aromatic homopolycyclic compound / Carbonyl group show 15 more
- Molecular Framework
- Aromatic homopolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 55L20667O4
- CAS number
- 1147011-84-4
- InChI Key
- UEBBYLJZCHTLEG-UTKZUKDTSA-N
- InChI
- InChI=1S/C21H25NO3/c1-22(14-20(23)24)13-17-9-8-16-12-18(25-2)10-11-19(16)21(17)15-6-4-3-5-7-15/h3-7,10-12,17,21H,8-9,13-14H2,1-2H3,(H,23,24)/t17-,21+/m1/s1
- IUPAC Name
- 2-({[(1R,2S)-6-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methyl}(methyl)amino)acetic acid
- SMILES
- COC1=CC=C2[C@H]([C@@H](CN(C)CC(O)=O)CCC2=C1)C1=CC=CC=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 11717074
- PubChem Substance
- 347828499
- ChemSpider
- 9891795
- ZINC
- ZINC000034640491
- Wikipedia
- ORG-25935
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Schizophrenia 1 2 Terminated Treatment Alcohol Dependency 1 2 Terminated Treatment Panic Disorder 1 2 Withdrawn Treatment Schizophrenia 1 1 Completed Basic Science 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 0.00924 mg/mL ALOGPS logP 3.87 ALOGPS logP 1.07 Chemaxon logS -4.6 ALOGPS pKa (Strongest Acidic) 1.68 Chemaxon pKa (Strongest Basic) 10.59 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 49.77 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 98.86 m3·mol-1 Chemaxon Polarizability 37.57 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes 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 splash10-0006-0029000000-fe43a62bd22c7c64b840 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-052r-0069000000-2fffe1a347232c9cb0ce Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-1090000000-501ab7c7672466778605 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0abi-0092000000-1ad7895dc5b69b49ba4f Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0f9f-7291000000-ad09d6d9ce430491df4e Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0abi-0090000000-4e41f83b904a9cfaa92b Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 180.42513 predictedDeepCCS 1.0 (2019) [M+H]+ 182.78311 predictedDeepCCS 1.0 (2019) [M+Na]+ 189.51668 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:38 / Updated at June 12, 2020 16:53