Deoxyspergualin

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Deoxyspergualin
Accession Number
DB12991
Type
Small Molecule
Groups
Investigational
Description

Deoxyspergualin has been used in trials studying the treatment of Lupus Nephritis, Chronic Rejection, and Diabetes Mellitus, Type 1.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
57F9XM233R
CAS number
89149-10-0
Weight
Average: 387.529
Monoisotopic: 387.295788079
Chemical Formula
C17H37N7O3
InChI Key
IDINUJSAMVOPCM-INIZCTEOSA-N
InChI
InChI=1S/C17H37N7O3/c18-9-7-11-21-10-5-6-12-22-15(26)16(27)24-14(25)8-3-1-2-4-13-23-17(19)20/h16,21,27H,1-13,18H2,(H,22,26)(H,24,25)(H4,19,20,23)/t16-/m0/s1
IUPAC Name
N-[(S)-({4-[(3-aminopropyl)amino]butyl}carbamoyl)(hydroxy)methyl]-7-carbamimidamidoheptanamide
SMILES
NCCCNCCCCNC(=O)[[email protected]](O)NC(=O)CCCCCCNC(N)=N

Pharmacology

Indication
Not Available
Structured Indications
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteractionDrug group
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Deoxyspergualin.Approved
AcetyldigoxinAcetyldigoxin may decrease the cardiotoxic activities of Deoxyspergualin.Experimental
AncestimThe risk or severity of cytotoxicity can be increased when Ancestim is combined with Deoxyspergualin.Approved, Investigational, Withdrawn
Anthrax immune globulin humanThe therapeutic efficacy of Anthrax immune globulin human can be decreased when used in combination with Deoxyspergualin.Approved
BCG vaccineThe therapeutic efficacy of BCG vaccine can be decreased when used in combination with Deoxyspergualin.Investigational
BendroflumethiazideThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Bendroflumethiazide.Approved
BevacizumabBevacizumab may increase the cardiotoxic activities of Deoxyspergualin.Approved, Investigational
ChlorothiazideThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Chlorothiazide.Approved, Vet Approved
ChlorthalidoneThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Chlorthalidone.Approved
Clostridium tetani toxoid antigen (formaldehyde inactivated)The therapeutic efficacy of Clostridium tetani toxoid antigen (formaldehyde inactivated) can be decreased when used in combination with Deoxyspergualin.Approved
Corynebacterium diphtheriae toxoid antigen (formaldehyde inactivated)The therapeutic efficacy of Corynebacterium diphtheriae toxoid antigen (formaldehyde inactivated) can be decreased when used in combination with Deoxyspergualin.Approved
CyclopenthiazideThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Cyclopenthiazide.Experimental
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Deoxyspergualin.Approved, Investigational
CymarinCymarin may decrease the cardiotoxic activities of Deoxyspergualin.Experimental
DenosumabThe risk or severity of adverse effects can be increased when Denosumab is combined with Deoxyspergualin.Approved
DeslanosideDeslanoside may decrease the cardiotoxic activities of Deoxyspergualin.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Deoxyspergualin.Approved, Investigational
DigoxinDigoxin may decrease the cardiotoxic activities of Deoxyspergualin.Approved
Digoxin Immune Fab (Ovine)Digoxin Immune Fab (Ovine) may decrease the cardiotoxic activities of Deoxyspergualin.Approved
FingolimodDeoxyspergualin may increase the immunosuppressive activities of Fingolimod.Approved, Investigational
G17DTThe therapeutic efficacy of G17DT can be decreased when used in combination with Deoxyspergualin.Investigational
GI-5005The therapeutic efficacy of GI-5005 can be decreased when used in combination with Deoxyspergualin.Investigational
GitoformateGitoformate may decrease the cardiotoxic activities of Deoxyspergualin.Experimental
Hepatitis A VaccineThe therapeutic efficacy of Hepatitis A Vaccine can be decreased when used in combination with Deoxyspergualin.Approved
Hepatitis B Vaccine (Recombinant)The therapeutic efficacy of Hepatitis B Vaccine (Recombinant) can be decreased when used in combination with Deoxyspergualin.Approved, Withdrawn
HydrochlorothiazideThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Hydrochlorothiazide.Approved, Vet Approved
HydroflumethiazideThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Hydroflumethiazide.Approved, Investigational
IndapamideThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Indapamide.Approved
INGN 201The therapeutic efficacy of INGN 201 can be decreased when used in combination with Deoxyspergualin.Investigational
INGN 225The therapeutic efficacy of INGN 225 can be decreased when used in combination with Deoxyspergualin.Investigational
Lanatoside CLanatoside C may decrease the cardiotoxic activities of Deoxyspergualin.Experimental
LeflunomideThe risk or severity of adverse effects can be increased when Deoxyspergualin is combined with Leflunomide.Approved, Investigational
Lipoic AcidLipoic Acid may increase the hypoglycemic activities of Deoxyspergualin.Approved, Nutraceutical
MedrogestoneThe serum concentration of Deoxyspergualin can be decreased when it is combined with Medrogestone.Approved
MethyclothiazideThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Methyclothiazide.Approved
MetildigoxinMetildigoxin may decrease the cardiotoxic activities of Deoxyspergualin.Experimental
MetolazoneThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Metolazone.Approved
NatalizumabThe risk or severity of adverse effects can be increased when Deoxyspergualin is combined with Natalizumab.Approved, Investigational
OleandrinOleandrin may decrease the cardiotoxic activities of Deoxyspergualin.Experimental, Investigational
OuabainOuabain may decrease the cardiotoxic activities of Deoxyspergualin.Approved
PeruvosidePeruvoside may decrease the cardiotoxic activities of Deoxyspergualin.Experimental
PimecrolimusThe risk or severity of adverse effects can be increased when Pimecrolimus is combined with Deoxyspergualin.Approved, Investigational
PolythiazideThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Polythiazide.Approved
PregabalinThe risk or severity of heart failure can be increased when Pregabalin is combined with Deoxyspergualin.Approved, Illicit, Investigational
ProscillaridinProscillaridin may decrease the cardiotoxic activities of Deoxyspergualin.Experimental
QuinethazoneThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Quinethazone.Approved
Rabies virus inactivated antigen, AThe risk or severity of adverse effects can be increased when Deoxyspergualin is combined with Rabies virus inactivated antigen, A.Approved
Rabies virus inactivated antigen, AThe therapeutic efficacy of Rabies virus inactivated antigen, A can be decreased when used in combination with Deoxyspergualin.Approved
RindopepimutThe therapeutic efficacy of Rindopepimut can be decreased when used in combination with Deoxyspergualin.Investigational
RoflumilastRoflumilast may increase the immunosuppressive activities of Deoxyspergualin.Approved
Rotavirus VaccineThe therapeutic efficacy of Rotavirus Vaccine can be decreased when used in combination with Deoxyspergualin.Approved
Rubella virus vaccineThe therapeutic efficacy of Rubella virus vaccine can be decreased when used in combination with Deoxyspergualin.Approved
Salmonella typhi ty21a live antigenThe therapeutic efficacy of Salmonella typhi ty21a live antigen can be decreased when used in combination with Deoxyspergualin.Approved
Sipuleucel-TThe therapeutic efficacy of Sipuleucel-T can be decreased when used in combination with Deoxyspergualin.Approved
SRP 299The therapeutic efficacy of SRP 299 can be decreased when used in combination with Deoxyspergualin.Investigational
TacrolimusTacrolimus may increase the immunosuppressive activities of Deoxyspergualin.Approved, Investigational
TecemotideThe therapeutic efficacy of Tecemotide can be decreased when used in combination with Deoxyspergualin.Investigational
TG4010The therapeutic efficacy of TG4010 can be decreased when used in combination with Deoxyspergualin.Investigational
TofacitinibDeoxyspergualin may increase the immunosuppressive activities of Tofacitinib.Approved, Investigational
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Deoxyspergualin.Approved, Investigational
TrichlormethiazideThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Trichlormethiazide.Approved, Vet Approved
UbidecarenoneThe therapeutic efficacy of Deoxyspergualin can be increased when used in combination with Ubidecarenone.Approved, Investigational, Nutraceutical
Varicella Zoster Vaccine (Live/Attenuated)The therapeutic efficacy of Varicella Zoster Vaccine (Live/Attenuated) can be decreased when used in combination with Deoxyspergualin.Approved
Yellow fever vaccineThe therapeutic efficacy of Yellow fever vaccine can be decreased when used in combination with Deoxyspergualin.Approved
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
91272
PubChem Substance
347829130
ChemSpider
82420
ChEMBL
CHEMBL1172736

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2CompletedTreatmentNephritis, Lupus1
2CompletedTreatmentDiabetes, Diabetes Mellitus Type 11
Not AvailableTerminatedTreatmentChronic Rejection1

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 Solubility0.129 mg/mLALOGPS
logP-0.89ALOGPS
logP-3.1ChemAxon
logS-3.5ALOGPS
pKa (Strongest Acidic)11.37ChemAxon
pKa (Strongest Basic)12.28ChemAxon
Physiological Charge3ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area178.38 Å2ChemAxon
Rotatable Bond Count17ChemAxon
Refractivity115.75 m3·mol-1ChemAxon
Polarizability44.71 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Alpha amino acid amides / N-acyl amines / Secondary carboxylic acid amides / Guanidines / Propargyl-type 1,3-dipolar organic compounds / Dialkylamines / Carboximidamides / Alkanolamines / Organopnictogen compounds / Organic oxides
show 3 more
Substituents
N-acyl-alpha amino acid or derivatives / Alpha-amino acid amide / Fatty amide / N-acyl-amine / Fatty acyl / Carboxamide group / Guanidine / Secondary carboxylic acid amide / Alkanolamine / Secondary aliphatic amine
show 16 more
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 19:49 / Updated on December 01, 2017 16:36