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Identification
NameGeneticin
Accession NumberDB04263  (EXPT01586)
TypeSmall Molecule
GroupsExperimental
DescriptionGeneticin (also known as G418) is an aminoglycoside antibiotic similar in structure to gentamicin B1. It is produced by Micromonospora rhodorangea. Geneticin blocks polypeptide synthesis by inhibiting the elongation step in both prokaryotic and eukaryotic cells. Resistance to Geneticin is conferred by the neo gene from Tn5 encoding an aminoglycoside 3‘-phosphotransferase, APH 3‘ II. Geneticin is commonly used in laboratory research to select genetically engineered cells.
Structure
Thumb
SynonymsNot Available
External Identifiers
  • Antibiotic G 418
  • Antibiotic g-418
  • G-418
  • G418
Approved Prescription ProductsNot Available
Approved Generic Prescription ProductsNot Available
Approved Over the Counter ProductsNot Available
Unapproved/Other Products Not Available
International BrandsNot Available
Brand mixturesNot Available
SaltsNot Available
Categories
UNIIA08F5XTI6G
CAS number49863-47-0
WeightAverage: 496.5524
Monoisotopic: 496.27444352
Chemical FormulaC20H40N4O10
InChI KeyBRZYSWJRSDMWLG-DJWUNRQOSA-N
InChI
InChI=1S/C20H40N4O10/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19/h6-19,24-30H,4-5,21-23H2,1-3H3/t6-,7+,8-,9-,10-,11+,12+,13-,14-,15-,16+,17-,18-,19-,20+/m1/s1
IUPAC Name
(2R,3S,4R,5R,6S)-5-amino-6-{[(1R,2S,3S,4R,6S)-4,6-diamino-3-{[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-2-[(1R)-1-hydroxyethyl]oxane-3,4-diol
SMILES
[H][C@](C)(O)[C@@]1([H])O[C@]([H])(O[C@]2([H])[C@@]([H])(N)C[C@@]([H])(N)[C@]([H])(O[C@@]3([H])OC[C@](C)(O)[C@]([H])(NC)[C@@]3([H])O)[C@@]2([H])O)[C@]([H])(N)[C@@]([H])(O)[C@]1([H])O
Pharmacology
IndicationNot Available
Structured Indications Not Available
PharmacodynamicsNot Available
Mechanism of action
TargetKindPharmacological actionActionsOrganismUniProt ID
Ornithine decarboxylaseProteinunknownNot AvailableHumanP11926 details
Related Articles
AbsorptionNot Available
Volume of distributionNot Available
Protein bindingNot Available
MetabolismNot Available
Route of eliminationNot Available
Half lifeNot Available
ClearanceNot Available
ToxicityNot Available
Affected organismsNot Available
PathwaysNot Available
SNP Mediated EffectsNot Available
SNP Mediated Adverse Drug ReactionsNot Available
Interactions
Drug Interactions
DrugInteractionDrug group
AceclofenacAceclofenac may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
AcetovanilloneAcetovanillone may decrease the excretion rate of Geneticin which could result in a higher serum level.Investigational
AcetyldigitoxinThe serum concentration of Acetyldigitoxin can be decreased when it is combined with Geneticin.Approved
Acetylsalicylic acidAcetylsalicylic acid may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved, Vet Approved
AdapaleneAdapalene may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
Alendronic acidGeneticin may increase the hypocalcemic activities of Alendronic acid.Approved
AmdinocillinThe serum concentration of Geneticin can be decreased when it is combined with Amdinocillin.Withdrawn
AmoxicillinThe serum concentration of Geneticin can be decreased when it is combined with Amoxicillin.Approved, Vet Approved
Amphotericin BAmphotericin B may increase the nephrotoxic activities of Geneticin.Approved, Investigational
AmpicillinThe serum concentration of Geneticin can be decreased when it is combined with Ampicillin.Approved, Vet Approved
AnisodamineAnisodamine may decrease the excretion rate of Geneticin which could result in a higher serum level.Investigational
AntipyrineAntipyrine may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
AnvirzelThe serum concentration of Anvirzel can be decreased when it is combined with Geneticin.Investigational
ApremilastApremilast may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved, Investigational
Atracurium besylateGeneticin may increase the respiratory depressant activities of Atracurium besylate.Approved
AzapropazoneAzapropazone may decrease the excretion rate of Geneticin which could result in a higher serum level.Withdrawn
AzelastineAzelastine may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
AzidocillinThe serum concentration of Geneticin can be decreased when it is combined with Azidocillin.Approved
AzlocillinThe serum concentration of Geneticin can be decreased when it is combined with Azlocillin.Approved
BacampicillinThe serum concentration of Geneticin can be decreased when it is combined with Bacampicillin.Approved
BalsalazideBalsalazide may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved, Investigational
BenoxaprofenBenoxaprofen may decrease the excretion rate of Geneticin which could result in a higher serum level.Withdrawn
Benzathine benzylpenicillinThe serum concentration of Geneticin can be decreased when it is combined with Benzathine benzylpenicillin.Approved, Vet Approved
BenzylpenicillinThe serum concentration of Geneticin can be decreased when it is combined with Benzylpenicillin.Approved, Vet Approved
Benzylpenicillin PotassiumThe serum concentration of Geneticin can be decreased when it is combined with Benzylpenicillin Potassium.Approved
Benzylpenicilloyl PolylysineThe serum concentration of Geneticin can be decreased when it is combined with Benzylpenicilloyl Polylysine.Approved
Betulinic AcidBetulinic Acid may decrease the excretion rate of Geneticin which could result in a higher serum level.Investigational
Botulinum Toxin Type AGeneticin may increase the neuromuscular blocking activities of Botulinum Toxin Type A.Approved, Investigational
Botulinum Toxin Type BGeneticin may increase the neuromuscular blocking activities of Botulinum Toxin Type B.Approved
BromfenacBromfenac may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
BucillamineBucillamine may decrease the excretion rate of Geneticin which could result in a higher serum level.Investigational
BumetanideThe risk or severity of adverse effects can be increased when Bumetanide is combined with Geneticin.Approved
CapreomycinCapreomycin may increase the neuromuscular blocking activities of Geneticin.Approved
CarbenicillinThe serum concentration of Geneticin can be decreased when it is combined with Carbenicillin.Approved
CarboplatinGeneticin may increase the ototoxic activities of Carboplatin.Approved
CarindacillinThe serum concentration of Geneticin can be decreased when it is combined with Carindacillin.Approved
CarprofenCarprofen may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved, Vet Approved, Withdrawn
CastanospermineCastanospermine may decrease the excretion rate of Geneticin which could result in a higher serum level.Experimental
CelecoxibCelecoxib may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved, Investigational
ChloroquineChloroquine may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved, Vet Approved
Cisatracurium besylateGeneticin may increase the respiratory depressant activities of Cisatracurium besylate.Approved
CisplatinCisplatin may increase the nephrotoxic activities of Geneticin.Approved
ClodronateGeneticin may increase the hypocalcemic activities of Clodronate.Approved, Investigational, Vet Approved
ClonixinClonixin may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
CloxacillinThe serum concentration of Geneticin can be decreased when it is combined with Cloxacillin.Approved, Vet Approved
ColistimethateGeneticin may increase the nephrotoxic activities of Colistimethate.Approved, Vet Approved
CurcuminCurcumin may decrease the excretion rate of Geneticin which could result in a higher serum level.Investigational
CyclacillinThe serum concentration of Geneticin can be decreased when it is combined with Cyclacillin.Approved
CyclosporineGeneticin may increase the nephrotoxic activities of Cyclosporine.Approved, Investigational, Vet Approved
D-LimoneneD-Limonene may decrease the excretion rate of Geneticin which could result in a higher serum level.Investigational
DecamethoniumGeneticin may increase the respiratory depressant activities of Decamethonium.Approved
DeslanosideThe serum concentration of Deslanoside can be decreased when it is combined with Geneticin.Approved
DiclofenacDiclofenac may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved, Vet Approved
DicloxacillinThe serum concentration of Geneticin can be decreased when it is combined with Dicloxacillin.Approved, Vet Approved
DiflunisalDiflunisal may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
DigitoxinThe serum concentration of Digitoxin can be decreased when it is combined with Geneticin.Approved
DigoxinThe serum concentration of Digoxin can be decreased when it is combined with Geneticin.Approved
Domoic AcidGeneticin may increase the respiratory depressant activities of Domoic Acid.Experimental
Doxacurium chlorideGeneticin may increase the respiratory depressant activities of Doxacurium chloride.Approved
DroxicamDroxicam may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
DuvelisibDuvelisib may decrease the excretion rate of Geneticin which could result in a higher serum level.Investigational
E6201E6201 may decrease the excretion rate of Geneticin which could result in a higher serum level.Investigational
EbselenEbselen may decrease the excretion rate of Geneticin which could result in a higher serum level.Investigational
EpirizoleEpirizole may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
Etacrynic acidThe risk or severity of adverse effects can be increased when Etacrynic acid is combined with Geneticin.Approved
EtanerceptEtanercept may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved, Investigational
Etidronic acidGeneticin may increase the hypocalcemic activities of Etidronic acid.Approved
EtodolacEtodolac may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved, Investigational, Vet Approved
EtofenamateEtofenamate may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
EtoricoxibEtoricoxib may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved, Investigational
Evening primrose oilEvening primrose oil may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
exisulindexisulind may decrease the excretion rate of Geneticin which could result in a higher serum level.Investigational
FenbufenFenbufen may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
FenoprofenFenoprofen may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
FloctafenineFloctafenine may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved, Withdrawn
FlucloxacillinThe serum concentration of Geneticin can be decreased when it is combined with Flucloxacillin.Approved
FlunixinFlunixin may decrease the excretion rate of Geneticin which could result in a higher serum level.Vet Approved
FlurbiprofenFlurbiprofen may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved, Investigational
FoscarnetFoscarnet may increase the nephrotoxic activities of Geneticin.Approved
FurosemideThe risk or severity of adverse effects can be increased when Furosemide is combined with Geneticin.Approved, Vet Approved
Gallamine TriethiodideGeneticin may increase the respiratory depressant activities of Gallamine Triethiodide.Approved
HigenamineHigenamine may decrease the excretion rate of Geneticin which could result in a higher serum level.Investigational
HMPL-004HMPL-004 may decrease the excretion rate of Geneticin which could result in a higher serum level.Investigational
IbandronateGeneticin may increase the hypocalcemic activities of Ibandronate.Approved, Investigational
IbuprofenIbuprofen may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
IbuproxamIbuproxam may decrease the excretion rate of Geneticin which could result in a higher serum level.Withdrawn
IcatibantIcatibant may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
IndomethacinIndomethacin may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved, Investigational
IndoprofenIndoprofen may decrease the excretion rate of Geneticin which could result in a higher serum level.Withdrawn
IsoxicamIsoxicam may decrease the excretion rate of Geneticin which could result in a higher serum level.Withdrawn
KebuzoneKebuzone may decrease the excretion rate of Geneticin which could result in a higher serum level.Experimental
KetoprofenKetoprofen may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved, Vet Approved
KetorolacKetorolac may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
LeflunomideLeflunomide may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved, Investigational
LisofyllineLisofylline may decrease the excretion rate of Geneticin which could result in a higher serum level.Investigational
LornoxicamLornoxicam may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
LoxoprofenLoxoprofen may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
LumiracoxibLumiracoxib may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved, Investigational
Magnesium salicylateMagnesium salicylate may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
MannitolMannitol may increase the nephrotoxic activities of Geneticin.Approved, Investigational
MasoprocolMasoprocol may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
MecamylamineGeneticin may increase the neuromuscular blocking activities of Mecamylamine.Approved
Meclofenamic acidMeclofenamic acid may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved, Vet Approved
Mefenamic acidMefenamic acid may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
MeloxicamMeloxicam may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved, Vet Approved
MesalazineMesalazine may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
MetamizoleMetamizole may decrease the excretion rate of Geneticin which could result in a higher serum level.Withdrawn
MeticillinThe serum concentration of Geneticin can be decreased when it is combined with Meticillin.Approved
MetocurineGeneticin may increase the respiratory depressant activities of Metocurine.Approved
Metocurine IodideGeneticin may increase the respiratory depressant activities of Metocurine Iodide.Withdrawn
MezlocillinThe serum concentration of Geneticin can be decreased when it is combined with Mezlocillin.Approved
MivacuriumGeneticin may increase the respiratory depressant activities of Mivacurium.Approved
MizoribineMizoribine may decrease the excretion rate of Geneticin which could result in a higher serum level.Investigational
Mycophenolate mofetilMycophenolate mofetil may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved, Investigational
Mycophenolic acidMycophenolic acid may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
NabumetoneNabumetone may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
NafamostatNafamostat may decrease the excretion rate of Geneticin which could result in a higher serum level.Investigational
NafcillinThe serum concentration of Geneticin can be decreased when it is combined with Nafcillin.Approved
NaftifineNaftifine may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
NaproxenNaproxen may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved, Vet Approved
NCX 4016NCX 4016 may decrease the excretion rate of Geneticin which could result in a higher serum level.Investigational
NeosaxitoxinGeneticin may increase the respiratory depressant activities of Neosaxitoxin.Investigational
NepafenacNepafenac may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
Niflumic AcidNiflumic Acid may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
NimesulideNimesulide may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved, Withdrawn
NitroaspirinNitroaspirin may decrease the excretion rate of Geneticin which could result in a higher serum level.Investigational
OlopatadineOlopatadine may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
OlsalazineOlsalazine may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
OrgoteinOrgotein may decrease the excretion rate of Geneticin which could result in a higher serum level.Vet Approved
OuabainThe serum concentration of Ouabain can be decreased when it is combined with Geneticin.Approved
OxacillinThe serum concentration of Geneticin can be decreased when it is combined with Oxacillin.Approved
OxaprozinOxaprozin may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
OxyphenbutazoneOxyphenbutazone may decrease the excretion rate of Geneticin which could result in a higher serum level.Withdrawn
PamidronateGeneticin may increase the hypocalcemic activities of Pamidronate.Approved
PancuroniumGeneticin may increase the respiratory depressant activities of Pancuronium.Approved
ParecoxibParecoxib may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
PhenoxymethylpenicillinThe serum concentration of Geneticin can be decreased when it is combined with Phenoxymethylpenicillin.Approved, Vet Approved
PhenylbutazonePhenylbutazone may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved, Vet Approved
PimecrolimusPimecrolimus may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved, Investigational
PipecuroniumGeneticin may increase the respiratory depressant activities of Pipecuronium.Approved
PiperacillinThe serum concentration of Geneticin can be decreased when it is combined with Piperacillin.Approved
PiretanideThe risk or severity of adverse effects can be increased when Piretanide is combined with Geneticin.Experimental
PirfenidonePirfenidone may decrease the excretion rate of Geneticin which could result in a higher serum level.Investigational
PiroxicamPiroxicam may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved, Investigational
PivampicillinThe serum concentration of Geneticin can be decreased when it is combined with Pivampicillin.Approved
PivmecillinamThe serum concentration of Geneticin can be decreased when it is combined with Pivmecillinam.Approved
Procaine benzylpenicillinThe serum concentration of Geneticin can be decreased when it is combined with Procaine benzylpenicillin.Approved, Vet Approved
PropacetamolPropacetamol may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
PTC299PTC299 may decrease the excretion rate of Geneticin which could result in a higher serum level.Investigational
PyrantelGeneticin may increase the respiratory depressant activities of Pyrantel.Approved, Vet Approved
RapacuroniumGeneticin may increase the respiratory depressant activities of Rapacuronium.Withdrawn
ResveratrolResveratrol may decrease the excretion rate of Geneticin which could result in a higher serum level.Experimental, Investigational
RisedronateGeneticin may increase the hypocalcemic activities of Risedronate.Approved, Investigational
RocuroniumGeneticin may increase the respiratory depressant activities of Rocuronium.Approved
RofecoxibRofecoxib may decrease the excretion rate of Geneticin which could result in a higher serum level.Investigational, Withdrawn
SalicylamideSalicylamide may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
Salicylic acidSalicylic acid may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved, Vet Approved
SalsalateSalsalate may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
SeratrodastSeratrodast may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved, Investigational
SRT501SRT501 may decrease the excretion rate of Geneticin which could result in a higher serum level.Investigational
SuccinylcholineGeneticin may increase the respiratory depressant activities of Succinylcholine.Approved
SulbactamThe serum concentration of Geneticin can be decreased when it is combined with Sulbactam.Approved
SulfasalazineSulfasalazine may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
SulindacSulindac may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
SultamicillinThe serum concentration of Geneticin can be decreased when it is combined with Sultamicillin.Investigational
SuprofenSuprofen may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved, Withdrawn
TazobactamThe serum concentration of Geneticin can be decreased when it is combined with Tazobactam.Approved
Technetium tc 99m etidronateGeneticin may increase the hypocalcemic activities of Technetium tc 99m etidronate.Approved
Technetium Tc-99m MedronateGeneticin may increase the hypocalcemic activities of Technetium Tc-99m Medronate.Approved
TenofovirThe serum concentration of Geneticin can be increased when it is combined with Tenofovir.Approved, Investigational
TenoxicamTenoxicam may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
TepoxalinTepoxalin may decrease the excretion rate of Geneticin which could result in a higher serum level.Vet Approved
TeriflunomideTeriflunomide may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
Tiaprofenic acidTiaprofenic acid may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
TicarcillinThe serum concentration of Geneticin can be decreased when it is combined with Ticarcillin.Approved, Vet Approved
TiludronateGeneticin may increase the hypocalcemic activities of Tiludronate.Approved, Vet Approved
TinoridineTinoridine may decrease the excretion rate of Geneticin which could result in a higher serum level.Investigational
Tolfenamic AcidTolfenamic Acid may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
TolmetinTolmetin may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
TorasemideThe risk or severity of adverse effects can be increased when Torasemide is combined with Geneticin.Approved
TranilastTranilast may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved, Investigational
Trisalicylate-cholineTrisalicylate-choline may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
TubocurarineGeneticin may increase the respiratory depressant activities of Tubocurarine.Approved
ValdecoxibValdecoxib may decrease the excretion rate of Geneticin which could result in a higher serum level.Investigational, Withdrawn
VancomycinVancomycin may increase the nephrotoxic activities of Geneticin.Approved
VecuroniumGeneticin may increase the respiratory depressant activities of Vecuronium.Approved
ZaltoprofenZaltoprofen may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved
ZileutonZileuton may decrease the excretion rate of Geneticin which could result in a higher serum level.Approved, Investigational, Withdrawn
Zoledronic acidGeneticin may increase the hypocalcemic activities of Zoledronic acid.Approved
ZomepiracZomepirac may decrease the excretion rate of Geneticin which could result in a higher serum level.Withdrawn
Food InteractionsNot Available
References
Synthesis ReferenceNot Available
General ReferencesNot Available
External Links
ATC CodesNot Available
AHFS CodesNot Available
PDB Entries
FDA labelNot Available
MSDSNot Available
ADMET
Predicted ADMET features
PropertyValueProbability
Human Intestinal Absorption-0.9308
Blood Brain Barrier-0.9911
Caco-2 permeable-0.7061
P-glycoprotein substrateSubstrate0.6041
P-glycoprotein inhibitor INon-inhibitor0.6588
P-glycoprotein inhibitor IINon-inhibitor0.9628
Renal organic cation transporterNon-inhibitor0.9159
CYP450 2C9 substrateNon-substrate0.8212
CYP450 2D6 substrateNon-substrate0.8552
CYP450 3A4 substrateSubstrate0.5694
CYP450 1A2 substrateNon-inhibitor0.9021
CYP450 2C9 inhibitorNon-inhibitor0.9028
CYP450 2D6 inhibitorNon-inhibitor0.929
CYP450 2C19 inhibitorNon-inhibitor0.9209
CYP450 3A4 inhibitorNon-inhibitor0.9578
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9114
Ames testNon AMES toxic0.6652
CarcinogenicityNon-carcinogens0.9575
BiodegradationNot ready biodegradable0.9789
Rat acute toxicity1.9026 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9973
hERG inhibition (predictor II)Non-inhibitor0.9179
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397 )
Pharmacoeconomics
ManufacturersNot Available
PackagersNot Available
Dosage formsNot Available
PricesNot Available
PatentsNot Available
Properties
StateSolid
Experimental PropertiesNot Available
Predicted Properties
PropertyValueSource
Water Solubility58.3 mg/mLALOGPS
logP-2.4ALOGPS
logP-5.3ChemAxon
logS-0.93ALOGPS
pKa (Strongest Acidic)12.42ChemAxon
pKa (Strongest Basic)9.79ChemAxon
Physiological Charge4ChemAxon
Hydrogen Acceptor Count14ChemAxon
Hydrogen Donor Count10ChemAxon
Polar Surface Area248.39 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity114 m3·mol-1ChemAxon
Polarizability50.55 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Mass Spec (NIST)Not Available
SpectraNot Available
Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars.
KingdomOrganic compounds
Super ClassOrganooxygen compounds
ClassCarbohydrates and carbohydrate conjugates
Sub ClassAminosaccharides
Direct ParentAminoglycosides
Alternative Parents
Substituents
  • Aminoglycoside core
  • 2-deoxystreptamine aminoglycoside
  • Glucosamine
  • Amino sugar
  • O-glycosyl compound
  • Glycosyl compound
  • Cyclohexylamine
  • Cyclohexanol
  • Oxane
  • Monosaccharide
  • Tertiary alcohol
  • Cyclic alcohol
  • Secondary alcohol
  • 1,2-diol
  • 1,2-aminoalcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Secondary amine
  • Secondary aliphatic amine
  • Acetal
  • Hydrocarbon derivative
  • Primary amine
  • Organonitrogen compound
  • Primary aliphatic amine
  • Amine
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available

Targets

Kind
Protein
Organism
Human
Pharmacological action
unknown
General Function:
Protein homodimerization activity
Specific Function:
Key enzyme of polyamine biosynthesis that converts ornithine into putrescine, which is the precursor for the polyamines, spermidine and spermine.
Gene Name:
ODC1
Uniprot ID:
P11926
Molecular Weight:
51147.73 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235 ]
Comments
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Drug created on June 13, 2005 07:24 / Updated on August 17, 2016 12:24