Terameprocol
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Terameprocol
- DrugBank Accession Number
- DB12226
- Background
Terameprocol has been investigated for the treatment of Brain and Central Nervous System Tumors.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 358.478
Monoisotopic: 358.214409446 - Chemical Formula
- C22H30O4
- Synonyms
- meso-Tetra-O-methylnordihydroguaiaretic acid
- meso-Tetramethoxy-4,4'-(2,3-dimethyltetramethylene)dipyrocatechol
- Terameprocol
- External IDs
- EM 1421
- EM-1421
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
- Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API
- 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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as dibenzylbutane lignans. These are lignan compounds containing a 2,3-dibenzylbutane moiety.
- Kingdom
- Organic compounds
- Super Class
- Lignans, neolignans and related compounds
- Class
- Dibenzylbutane lignans
- Sub Class
- Not Available
- Direct Parent
- Dibenzylbutane lignans
- Alternative Parents
- Dimethoxybenzenes / Phenylpropanes / Phenoxy compounds / Anisoles / Alkyl aryl ethers / Hydrocarbon derivatives
- Substituents
- Alkyl aryl ether / Anisole / Aromatic homomonocyclic compound / Benzenoid / Dibenzylbutane lignan skeleton / Dimethoxybenzene / Ether / Hydrocarbon derivative / Methoxybenzene / Monocyclic benzene moiety
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 53YET703F2
- CAS number
- 24150-24-1
- InChI Key
- ORQFDHFZSMXRLM-IYBDPMFKSA-N
- InChI
- InChI=1S/C22H30O4/c1-15(11-17-7-9-19(23-3)21(13-17)25-5)16(2)12-18-8-10-20(24-4)22(14-18)26-6/h7-10,13-16H,11-12H2,1-6H3/t15-,16+
- IUPAC Name
- 4-[(2R,3S)-3-[(3,4-dimethoxyphenyl)methyl]-2-methylbutyl]-1,2-dimethoxybenzene
- SMILES
- COC1=CC=C(C[C@H](C)[C@H](C)CC2=CC=C(OC)C(OC)=C2)C=C1OC
References
- General References
- Not Available
- External Links
- PubChem Compound
- 476861
- PubChem Substance
- 347828505
- ChemSpider
- 418597
- ChEMBL
- CHEMBL90983
- ZINC
- ZINC000016953163
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Treatment Cancer 1 1 Completed Treatment Head and Neck Neoplasms 1 1 Completed Treatment High Grade Glioma (III or IV) 1 1 Terminated Treatment Acute Lymphocytic Leukemia (ALL) / Acute Myeloid Leukemia / Adult T-Cell Leukemia (ATL) / Chronic Lymphocytic Leukemia / Chronic Myeloid Leukemia (CML-BP) / Chronic Myelomonocytic Leukemia / Leukemias / Myelodysplastic Syndrome 1 1 Terminated Treatment Lymphoma / Refractory Solid Tumors 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 0.000192 mg/mL ALOGPS logP 5.77 ALOGPS logP 5.34 Chemaxon logS -6.3 ALOGPS pKa (Strongest Basic) -4.3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 36.92 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 104.55 m3·mol-1 Chemaxon Polarizability 41.9 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes 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 splash10-0fbc-0914000000-c47b1ca4f6916260bec8 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-1096000000-3cf5f2bf3a9eae97e63d Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0adi-7596000000-997ceb2a235cba6fbc88 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-0009000000-76512044c574d4c55f7e Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0a6r-0149000000-8e50cbac9b0ab276f572 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0udl-0793000000-5757c5b714c5f89cf081 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0007-0195000000-7ec708d3748ff685b8ec 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]- 206.78605 predictedDarkChem Lite v0.1.0 [M-H]- 185.6423 predictedDeepCCS 1.0 (2019) [M+H]+ 208.28605 predictedDarkChem Lite v0.1.0 [M+H]+ 188.0003 predictedDeepCCS 1.0 (2019) [M+Na]+ 206.71705 predictedDarkChem Lite v0.1.0 [M+Na]+ 194.64748 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:40 / Updated at February 21, 2021 18:53