SB-1578
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- SB-1578
- DrugBank Accession Number
- DB15294
- Background
SB-1578 is under investigation in clinical trial NCT01235871 (A Single and Multiple-Dose Study of SB1578).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 462.55
Monoisotopic: 462.226705462 - Chemical Formula
- C26H30N4O4
- Synonyms
- Not Available
- External IDs
- SB1578
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 phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Phenol ethers
- Sub Class
- Not Available
- Direct Parent
- Phenol ethers
- Alternative Parents
- Alkyl aryl ethers / Pyrimidines and pyrimidine derivatives / N-alkylpyrrolidines / Heteroaromatic compounds / Furans / Trialkylamines / Oxacyclic compounds / Dialkyl ethers / Azacyclic compounds / Hydrocarbon derivatives
- Substituents
- Alkyl aryl ether / Amine / Aromatic heteropolycyclic compound / Azacycle / Dialkyl ether / Ether / Furan / Heteroaromatic compound / Hydrocarbon derivative / N-alkylpyrrolidine
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 4T71DC0G0A
- CAS number
- 937273-04-6
- InChI Key
- NNXDIGHYPZHXTR-ONEGZZNKSA-N
- InChI
- InChI=1S/C26H30N4O4/c1-2-12-30(11-1)13-16-33-24-7-5-21-17-20(24)18-31-14-3-4-15-32-19-22-6-8-25(34-22)23-9-10-27-26(28-21)29-23/h3-10,17H,1-2,11-16,18-19H2,(H,27,28,29)/b4-3+
- IUPAC Name
- (9E)-15-[2-(pyrrolidin-1-yl)ethoxy]-7,12,26-trioxa-19,21,24-triazatetracyclo[18.3.1.1^{2,5}.1^{14,18}]hexacosa-1(23),2,4,9,14,16,18(25),20(24),21-nonaene
- SMILES
- C(CN1CCCC1)OC1=C2COC\C=C\COCC3=CC=C(O3)C3=CC=NC(NC(C=C1)=C2)=N3
References
- General References
- Not Available
- External Links
- ChemSpider
- 28518963
- BindingDB
- 50384879
- ChEMBL
- CHEMBL2035185
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 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 0.0568 mg/mL ALOGPS logP 4.23 ALOGPS logP 3.56 Chemaxon logS -3.9 ALOGPS pKa (Strongest Acidic) 13.9 Chemaxon pKa (Strongest Basic) 8.86 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 81.88 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 131.69 m3·mol-1 Chemaxon Polarizability 49.52 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No 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 splash10-03di-0001900000-133d6eace7cf076032db Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-0001900000-6f14cccbafd41f59abdd Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-1004900000-b8dae4b4d1c7fed83b2f Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-0009000000-36b01a4804d6c20a6f3b Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0kus-9107200000-e3b372cb18819b294f69 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-03dr-0009300000-4a6c3be1d55e0a9b60cd 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 15:09 / Updated at June 12, 2020 16:53