T-62
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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
- T-62
- DrugBank Accession Number
- DB12919
- Background
T-62 has been used in trials studying the treatment of Postherpetic Neuralgia.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 291.79
Monoisotopic: 291.0484629 - Chemical Formula
- C15H14ClNOS
- 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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Carbonyl compounds
- Direct Parent
- Aryl-phenylketones
- Alternative Parents
- 2-amino-3-benzoylthiophenes / 3,4,5-trisubstituted-2-aminothiophenes / Thiophene carboxylic acids and derivatives / Benzoyl derivatives / Chlorobenzenes / Aryl chlorides / Vinylogous amides / Heteroaromatic compounds / Primary amines / Organopnictogen compounds show 3 more
- Substituents
- 2-amino-3-benzoylthiophene / 2-aminothiophene / 3,4,5-trisubstituted-2-aminothiophene / 3-aroylthiophene / Amine / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Aryl-phenylketone / Benzenoid show 17 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 9Q765ZIF8L
- CAS number
- 40312-34-3
- InChI Key
- OTZVBZFYMFTYKH-UHFFFAOYSA-N
- InChI
- InChI=1S/C15H14ClNOS/c16-10-7-5-9(6-8-10)14(18)13-11-3-1-2-4-12(11)19-15(13)17/h5-8H,1-4,17H2
- IUPAC Name
- 3-(4-chlorobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
- SMILES
- NC1=C(C(=O)C2=CC=C(Cl)C=C2)C2=C(CCCC2)S1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 855908
- PubChem Substance
- 347829065
- ChemSpider
- 748087
- BindingDB
- 50080540
- ChEMBL
- CHEMBL57997
- ZINC
- ZINC000000411286
- Wikipedia
- T-62
Clinical Trials
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 0.00376 mg/mL ALOGPS logP 4.23 ALOGPS logP 5.39 Chemaxon logS -4.9 ALOGPS pKa (Strongest Basic) -5.8 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 43.09 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 79.82 m3·mol-1 Chemaxon Polarizability 30.71 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five No 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 GC-MS Spectrum - GC-MS Predicted GC-MS splash10-01u9-2790000000-fc6638c3be330f29015b Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-0090000000-1326fea6064ac4271a06 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-0090000000-08696e4921ba2d3b166c Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-0190000000-cbc0e110105a388e80ac Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9000000000-8e55f5ba8a08283bf132 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0pbi-0920000000-d0a1c377199b721a5fe7 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9000000000-d8d3f28030ce10e0cf25 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]- 161.19585 predictedDeepCCS 1.0 (2019) [M+H]+ 163.55516 predictedDeepCCS 1.0 (2019) [M+Na]+ 169.64699 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 01:16 / Updated at June 12, 2020 16:53