SB-1578

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 rates
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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
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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
ChemSpider
28518963
BindingDB
50384879
ChEMBL
CHEMBL2035185

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceHealthy 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
PropertyValueSource
Water Solubility0.0568 mg/mLALOGPS
logP4.23ALOGPS
logP3.56Chemaxon
logS-3.9ALOGPS
pKa (Strongest Acidic)13.9Chemaxon
pKa (Strongest Basic)8.86Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area81.88 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity131.69 m3·mol-1Chemaxon
Polarizability49.52 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0001900000-133d6eace7cf076032db
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0001900000-6f14cccbafd41f59abdd
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-1004900000-b8dae4b4d1c7fed83b2f
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0009000000-36b01a4804d6c20a6f3b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0kus-9107200000-e3b372cb18819b294f69
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-03dr-0009300000-4a6c3be1d55e0a9b60cd
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 15:09 / Updated at June 12, 2020 16:53