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
External IDs
Not Available
Product Ingredients
Not Available
Approved Prescription Products
Not Available
Approved Generic Prescription Products
Not Available
Approved Over the Counter Products
Not Available
Unapproved/Other Products
Not Available
International/Other Brands
Not Available
Brand mixtures
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
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 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
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
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Deoxyspergualin.Approved, Investigational
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
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 risk or severity of adverse effects can be increased when Deoxyspergualin is combined with G17DT.Investigational
GI-5005The risk or severity of adverse effects can be increased when Deoxyspergualin is combined with GI-5005.Investigational
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
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 risk or severity of adverse effects can be increased when Deoxyspergualin is combined with INGN 201.Investigational
INGN 225The risk or severity of adverse effects can be increased when Deoxyspergualin is combined with INGN 225.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
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
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
OleandrinAnvirzel may decrease the cardiotoxic activities of Deoxyspergualin.Experimental
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
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
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
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 vaccine.Approved
Rabies virus inactivated antigen, AThe therapeutic efficacy of Rabies vaccine can be decreased when used in combination with Deoxyspergualin.Approved
RepaglinideDeoxyspergualin may increase the hypoglycemic activities of Repaglinide.Approved, Investigational
RindopepimutThe risk or severity of adverse effects can be increased when Deoxyspergualin is combined with CDX-110.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
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 risk or severity of adverse effects can be increased when Deoxyspergualin is combined with SRP 299.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
TacrolimusThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Tacrolimus.Approved, Investigational
TemsirolimusThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Temsirolimus.Approved
TG4010The risk or severity of adverse effects can be increased when Deoxyspergualin is combined with TG4010.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
ZiprasidoneThe therapeutic efficacy of Deoxyspergualin can be decreased when used in combination with Ziprasidone.Approved
Food Interactions
Not Available

References

Synthesis Reference
Not Available
General References
Not Available
External Links
ChemSpider
82420
ChEMBL
CHEMBL1172736
ATC Codes
Not Available
AHFS Codes
Not Available
PDB Entries
Not Available
FDA label
Not Available
MSDS
Not Available

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 LC-MS/MS Spectrum - 10V, PositivePredicted LC-MS/MSNot Available
Predicted LC-MS/MS Spectrum - 20V, PositivePredicted LC-MS/MSNot Available
Predicted LC-MS/MS Spectrum - 40V, PositivePredicted LC-MS/MSNot Available
Predicted LC-MS/MS Spectrum - 10V, NegativePredicted LC-MS/MSNot Available
Predicted LC-MS/MS Spectrum - 20V, NegativePredicted LC-MS/MSNot Available
Predicted LC-MS/MS Spectrum - 40V, NegativePredicted 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 September 01, 2017 12:27