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
AripiprazoleThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Aripiprazole.Approved, Investigational
Arsenic trioxideThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Arsenic trioxide.Approved, Investigational
ArticaineThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Articaine.Approved
AsenapineThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Asenapine.Approved
AtazanavirThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Atazanavir.Approved, Investigational
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
BetamethasoneThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Betamethasone.Approved, Vet Approved
BevacizumabBevacizumab may increase the cardiotoxic activities of Deoxyspergualin.Approved, Investigational
BrexpiprazoleThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Brexpiprazole.Approved
BumetanideThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Bumetanide.Approved
BuserelinThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Buserelin.Approved
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Deoxyspergualin.Approved
CeritinibThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Ceritinib.Approved
ChlorothiazideThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Chlorothiazide.Approved, Vet Approved
ChlorpropamideDeoxyspergualin may increase the hypoglycemic activities of Chlorpropamide.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
ClozapineThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Clozapine.Approved
CorticotropinThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Corticotropin.Approved, Vet Approved
Cortisone acetateThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Cortisone acetate.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
Cyproterone acetateThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Cyproterone acetate.Approved, Investigational
DabrafenibThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Dabrafenib.Approved
DanazolThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Danazol.Approved
DarunavirThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Darunavir.Approved
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
DesogestrelThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Desogestrel.Approved
DexamethasoneThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Dexamethasone.Approved, Investigational, Vet Approved
DiazoxideThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Diazoxide.Approved
DienogestThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Dienogest.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Deoxyspergualin.Approved, Investigational
DigoxinDigoxin may decrease the cardiotoxic activities of Deoxyspergualin.Approved
DisopyramideDeoxyspergualin may increase the hypoglycemic activities of Disopyramide.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Deoxyspergualin.Approved, Investigational
DrospirenoneThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Drospirenone.Approved
EpinephrineThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Epinephrine.Approved, Vet Approved
EstradiolThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Estradiol.Approved, Investigational, Vet Approved
Estrone sulfateThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Estrone sulfate.Approved
Etacrynic acidThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Etacrynic acid.Approved
Ethinyl EstradiolThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Ethinyl Estradiol.Approved
Ethynodiol diacetateThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Ethynodiol diacetate.Approved
EtonogestrelThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Etonogestrel.Approved, Investigational
EverolimusThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Everolimus.Approved
FingolimodDeoxyspergualin may increase the immunosuppressive activities of Fingolimod.Approved, Investigational
FludrocortisoneThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Fludrocortisone.Approved
FosamprenavirThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Fosamprenavir.Approved
FurosemideThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Furosemide.Approved, Vet Approved
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
GliclazideDeoxyspergualin may increase the hypoglycemic activities of Gliclazide.Approved
GlimepirideDeoxyspergualin may increase the hypoglycemic activities of Glimepiride.Approved
GlipizideDeoxyspergualin may increase the hypoglycemic activities of Glipizide.Approved
GlyburideDeoxyspergualin may increase the hypoglycemic activities of Glyburide.Approved
GoserelinThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Goserelin.Approved
HistrelinThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Histrelin.Approved
HydrochlorothiazideThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Hydrochlorothiazide.Approved, Vet Approved
HydrocortisoneThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Hydrocortisone.Approved, Vet Approved
HydroflumethiazideThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Hydroflumethiazide.Approved, Investigational
Hydroxyprogesterone caproateThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Hydroxyprogesterone caproate.Approved
IloperidoneThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Iloperidone.Approved
IndapamideThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Indapamide.Approved
IndinavirThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Indinavir.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
Insulin AspartDeoxyspergualin may increase the hypoglycemic activities of Insulin Aspart.Approved
Insulin DetemirDeoxyspergualin may increase the hypoglycemic activities of Insulin Detemir.Approved
Insulin GlargineDeoxyspergualin may increase the hypoglycemic activities of Insulin Glargine.Approved
Insulin GlulisineDeoxyspergualin may increase the hypoglycemic activities of Insulin Glulisine.Approved
Insulin HumanDeoxyspergualin may increase the hypoglycemic activities of Insulin Human.Approved, Investigational
Insulin LisproDeoxyspergualin may increase the hypoglycemic activities of Insulin Lispro.Approved
Lanatoside CLanatoside C may decrease the cardiotoxic activities of Deoxyspergualin.Experimental
LanreotideThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Lanreotide.Approved
LeflunomideThe risk or severity of adverse effects can be increased when Deoxyspergualin is combined with Leflunomide.Approved, Investigational
LeuprolideThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Leuprolide.Approved, Investigational
LevonorgestrelThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Levonorgestrel.Approved, Investigational
Lipoic AcidLipoic Acid may increase the hypoglycemic activities of Deoxyspergualin.Approved, Nutraceutical
LopinavirThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Lopinavir.Approved
LurasidoneThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Lurasidone.Approved
MecaserminDeoxyspergualin may increase the hypoglycemic activities of Mecasermin.Approved, Investigational
Medroxyprogesterone acetateThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Medroxyprogesterone acetate.Approved, Investigational
Megestrol acetateThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Megestrol acetate.Approved, Vet Approved
MestranolThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Mestranol.Approved
MethotrimeprazineThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Methotrimeprazine.Approved
MethyclothiazideThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Methyclothiazide.Approved
MethylprednisoloneThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Methylprednisolone.Approved, Vet 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
MifepristoneDeoxyspergualin may increase the hypoglycemic activities of Mifepristone.Approved, Investigational
NatalizumabThe risk or severity of adverse effects can be increased when Deoxyspergualin is combined with Natalizumab.Approved, Investigational
NateglinideDeoxyspergualin may increase the hypoglycemic activities of Nateglinide.Approved, Investigational
NelfinavirThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Nelfinavir.Approved
NiacinThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Niacin.Approved, Investigational, Nutraceutical
NilotinibThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Nilotinib.Approved, Investigational
NorethisteroneThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Norethisterone.Approved
NorgestimateThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Norgestimate.Approved
OctreotideThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Octreotide.Approved, Investigational
OlanzapineThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Olanzapine.Approved, Investigational
OleandrinOleandrin may decrease the cardiotoxic activities of Deoxyspergualin.Experimental, Investigational
OuabainOuabain may decrease the cardiotoxic activities of Deoxyspergualin.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with Deoxyspergualin.Approved, Vet Approved
PaliperidoneThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Paliperidone.Approved
PasireotideThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Pasireotide.Approved
PentamidineThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Pentamidine.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
PiperazineThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Piperazine.Approved, Vet Approved
PipotiazineThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Pipotiazine.Approved, Investigational
PolythiazideThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Polythiazide.Approved
PrednisoloneThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Prednisolone.Approved, Vet Approved
PrednisoneThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Prednisone.Approved, Vet Approved
ProgesteroneThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Progesterone.Approved, Vet Approved
ProscillaridinProscillaridin may decrease the cardiotoxic activities of Deoxyspergualin.Experimental
QuetiapineThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Quetiapine.Approved
QuinethazoneThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Quinethazone.Approved
QuinineDeoxyspergualin may increase the hypoglycemic activities of Quinine.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
RepaglinideDeoxyspergualin may increase the hypoglycemic activities of Repaglinide.Approved, Investigational
RindopepimutThe therapeutic efficacy of Rindopepimut can be decreased when used in combination with Deoxyspergualin.Investigational
RisperidoneThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Risperidone.Approved, Investigational
RitonavirThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Ritonavir.Approved, 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
SaquinavirThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Saquinavir.Approved, Investigational
Sipuleucel-TThe therapeutic efficacy of Sipuleucel-T can be decreased when used in combination with Deoxyspergualin.Approved
SirolimusThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Sirolimus.Approved, Investigational
SRP 299The therapeutic efficacy of SRP 299 can be decreased when used in combination with Deoxyspergualin.Investigational
SulfadiazineDeoxyspergualin may increase the hypoglycemic activities of Sulfadiazine.Approved, Vet Approved
SulfamethoxazoleDeoxyspergualin may increase the hypoglycemic activities of Sulfamethoxazole.Approved
SulfisoxazoleDeoxyspergualin may increase the hypoglycemic activities of Sulfisoxazole.Approved, Vet Approved
SunitinibDeoxyspergualin may increase the hypoglycemic activities of Sunitinib.Approved, Investigational
TacrolimusThe risk or severity of adverse effects can be increased when Tacrolimus is combined with Deoxyspergualin.Approved, Investigational
TecemotideThe therapeutic efficacy of Tecemotide can be decreased when used in combination with Deoxyspergualin.Investigational
TemsirolimusThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Temsirolimus.Approved
TG4010The therapeutic efficacy of TG4010 can be decreased when used in combination with Deoxyspergualin.Investigational
TipranavirThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Tipranavir.Approved, Investigational
TofacitinibDeoxyspergualin may increase the immunosuppressive activities of Tofacitinib.Approved, Investigational
TolazamideDeoxyspergualin may increase the hypoglycemic activities of Tolazamide.Approved
TolbutamideDeoxyspergualin may increase the hypoglycemic activities of Tolbutamide.Approved
TorasemideThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Torasemide.Approved
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Deoxyspergualin.Approved, Investigational
TriamcinoloneThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Triamcinolone.Approved, Vet Approved
TrichlormethiazideThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Trichlormethiazide.Approved, Vet Approved
TriptorelinThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Triptorelin.Approved, Vet Approved
VorinostatThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Vorinostat.Approved, Investigational
Yellow fever vaccineThe therapeutic efficacy of Yellow fever vaccine can be decreased when used in combination with Deoxyspergualin.Approved
ZiprasidoneThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Ziprasidone.Approved
Zoster vaccineThe therapeutic efficacy of Zoster 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 November 09, 2017 05:16