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Identification
NameMyxothiazol
Accession NumberDB04741
TypeSmall Molecule
GroupsExperimental
DescriptionNot Available
Structure
Thumb
Synonyms
(2Z,6E)-7-{2'-[(2E,4E)-1,6-DIMETHYLHEPTA-2,4-DIENYL]-2,4'-BI-1,3-THIAZOL-4-YL}-3,5-DIMETHOXY-4-METHYLHEPTA-2,6-DIENAMIDE
External Identifiers Not Available
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
UNIINot Available
CAS number76706-55-3
WeightAverage: 487.678
Monoisotopic: 487.196333317
Chemical FormulaC25H33N3O3S2
InChI KeyXKTFQMCPGMTBMD-FYHMSGCOSA-N
InChI
InChI=1S/C25H33N3O3S2/c1-16(2)9-7-8-10-17(3)24-28-20(15-33-24)25-27-19(14-32-25)11-12-21(30-5)18(4)22(31-6)13-23(26)29/h7-18,21H,1-6H3,(H2,26,29)/b9-7+,10-8+,12-11+,22-13+/t17-,18+,21-/m0/s1
IUPAC Name
(2E,4R,5S,6E)-3,5-dimethoxy-4-methyl-7-(2-{2-[(2S,3E,5E)-7-methylocta-3,5-dien-2-yl]-1,3-thiazol-4-yl}-1,3-thiazol-4-yl)hepta-2,6-dienamide
SMILES
CO[C@@H](\C=C\C1=CSC(=N1)C1=CSC(=N1)[C@@H](C)\C=C\C=C\C(C)C)[C@@H](C)C(\OC)=C/C(N)=O
Pharmacology
IndicationNot Available
Structured Indications Not Available
PharmacodynamicsNot Available
Mechanism of action
TargetKindPharmacological actionActionsOrganismUniProt ID
Cytochrome b-c1 complex subunit 1, mitochondrialProteinunknownNot AvailableHumanP31930 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
AmlodipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Amlodipine.Approved
Amphotericin BThe therapeutic efficacy of Amphotericin B can be decreased when used in combination with Myxothiazol.Approved, Investigational
AmrinoneThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Amrinone.Approved
AzelnidipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Azelnidipine.Approved
AzimilideThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Azimilide.Investigational
BarnidipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Barnidipine.Approved
BenidipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Benidipine.Approved
BepridilThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Bepridil.Approved, Withdrawn
BuspironeThe metabolism of Buspirone can be decreased when combined with Myxothiazol.Approved, Investigational
BusulfanThe serum concentration of Busulfan can be increased when it is combined with Myxothiazol.Approved, Investigational
CaiThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Cai.Investigational
CilnidipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Cilnidipine.Approved
CinnarizineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Cinnarizine.Approved
CisaprideThe serum concentration of Cisapride can be increased when it is combined with Myxothiazol.Approved, Investigational, Withdrawn
ClevidipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Clevidipine.Approved
ConivaptanThe metabolism of Conivaptan can be decreased when combined with Myxothiazol.Approved, Investigational
CyclosporineThe metabolism of Cyclosporine can be decreased when combined with Myxothiazol.Approved, Investigational, Vet Approved
DarodipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Darodipine.Experimental
DidanosineDidanosine can cause a decrease in the absorption of Myxothiazol resulting in a reduced serum concentration and potentially a decrease in efficacy.Approved
DiltiazemThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Diltiazem.Approved
DocetaxelThe metabolism of Docetaxel can be decreased when combined with Myxothiazol.Approved, Investigational
DofetilideThe metabolism of Dofetilide can be decreased when combined with Myxothiazol.Approved
DotarizineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Dotarizine.Investigational
EfonidipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Efonidipine.Approved
EperisoneThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Eperisone.Approved, Investigational
EtravirineThe serum concentration of Etravirine can be increased when it is combined with Myxothiazol.Approved
FelodipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Felodipine.Approved, Investigational
FendilineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Fendiline.Withdrawn
FlunarizineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Flunarizine.Approved
FosphenytoinThe serum concentration of Myxothiazol can be decreased when it is combined with Fosphenytoin.Approved
GabapentinThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Gabapentin.Approved, Investigational
GallopamilThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Gallopamil.Investigational
IsradipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Isradipine.Approved
LacidipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Lacidipine.Approved
LamotrigineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Lamotrigine.Approved, Investigational
LercanidipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Lercanidipine.Approved, Investigational
LosartanThe metabolism of Losartan can be decreased when combined with Myxothiazol.Approved
Magnesium SulfateThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Magnesium Sulfate.Approved, Vet Approved
ManidipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Manidipine.Approved
MibefradilThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Mibefradil.Withdrawn
NaftopidilThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Naftopidil.Investigational
NicardipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Nicardipine.Approved
NifedipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Nifedipine.Approved
NiguldipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Niguldipine.Experimental
NiludipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Niludipine.Experimental
NilvadipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Nilvadipine.Approved
NimesulideThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Nimesulide.Approved, Withdrawn
NimodipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Nimodipine.Approved
NisoldipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Nisoldipine.Approved
NitrendipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Nitrendipine.Approved
PerhexilineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Perhexiline.Approved
PhenytoinThe serum concentration of Phenytoin can be increased when it is combined with Myxothiazol.Approved, Vet Approved
PimozideMyxothiazol may increase the arrhythmogenic activities of Pimozide.Approved
PinaveriumThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Pinaverium.Approved
PregabalinThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Pregabalin.Approved, Illicit, Investigational
PrenylamineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Prenylamine.Withdrawn
ProgesteroneThe therapeutic efficacy of Progesterone can be decreased when used in combination with Myxothiazol.Approved, Vet Approved
QuinidineThe metabolism of Quinidine can be decreased when combined with Myxothiazol.Approved
RanolazineThe metabolism of Ranolazine can be decreased when combined with Myxothiazol.Approved, Investigational
RifabutinThe serum concentration of Rifabutin can be increased when it is combined with Myxothiazol.Approved
RifampicinThe serum concentration of Rifampicin can be increased when it is combined with Myxothiazol.Approved
RifapentineThe serum concentration of Rifapentine can be increased when it is combined with Myxothiazol.Approved
RisedronateThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Risedronate.Approved, Investigational
SolifenacinThe metabolism of Solifenacin can be decreased when combined with Myxothiazol.Approved
SucralfateSucralfate can cause a decrease in the absorption of Myxothiazol resulting in a reduced serum concentration and potentially a decrease in efficacy.Approved
SunitinibThe metabolism of Sunitinib can be decreased when combined with Myxothiazol.Approved, Investigational
TacrolimusThe metabolism of Tacrolimus can be decreased when combined with Myxothiazol.Approved, Investigational
Tolfenamic AcidThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Tolfenamic Acid.Approved
TranilastThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Tranilast.Approved, Investigational
VerapamilThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Verapamil.Approved
VinpocetineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Vinpocetine.Investigational
XylometazolineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Xylometazoline.Approved
ZiconotideThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Ziconotide.Approved
ZolpidemThe serum concentration of Zolpidem can be increased when it is combined with Myxothiazol.Approved
Food InteractionsNot Available
References
Synthesis ReferenceNot Available
General ReferencesNot Available
External Links
ATC CodesNot Available
AHFS CodesNot Available
PDB EntriesNot Available
FDA labelNot Available
MSDSNot Available
ADMET
Predicted ADMET features
PropertyValueProbability
Human Intestinal Absorption+0.9968
Blood Brain Barrier+0.8673
Caco-2 permeable-0.516
P-glycoprotein substrateNon-substrate0.7141
P-glycoprotein inhibitor INon-inhibitor0.5443
P-glycoprotein inhibitor IINon-inhibitor0.9211
Renal organic cation transporterNon-inhibitor0.9296
CYP450 2C9 substrateNon-substrate0.887
CYP450 2D6 substrateNon-substrate0.821
CYP450 3A4 substrateNon-substrate0.567
CYP450 1A2 substrateInhibitor0.7004
CYP450 2C9 inhibitorNon-inhibitor0.5735
CYP450 2D6 inhibitorNon-inhibitor0.907
CYP450 2C19 inhibitorNon-inhibitor0.5595
CYP450 3A4 inhibitorNon-inhibitor0.8704
CYP450 inhibitory promiscuityHigh CYP Inhibitory Promiscuity0.5756
Ames testNon AMES toxic0.586
CarcinogenicityNon-carcinogens0.7632
BiodegradationNot ready biodegradable0.9552
Rat acute toxicity2.3626 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9989
hERG inhibition (predictor II)Non-inhibitor0.8833
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 Solubility0.00149 mg/mLALOGPS
logP5.38ALOGPS
logP4.96ChemAxon
logS-5.5ALOGPS
pKa (Strongest Acidic)15.91ChemAxon
pKa (Strongest Basic)1.42ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area87.33 Å2ChemAxon
Rotatable Bond Count12ChemAxon
Refractivity149.97 m3·mol-1ChemAxon
Polarizability55.01 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
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 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at the positions 2 and 3.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassAzoles
Sub ClassThiazoles
Direct Parent2,4-disubstituted thiazoles
Alternative Parents
Substituents
  • 2,4-disubstituted 1,3-thiazole
  • Heteroaromatic compound
  • Vinylogous ester
  • Primary carboxylic acid amide
  • Carboxamide group
  • Azacycle
  • Ether
  • Dialkyl ether
  • Carboxylic acid derivative
  • Carboxylic acid amide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available

Targets

Kind
Protein
Organism
Human
Pharmacological action
unknown
General Function:
Zinc ion binding
Specific Function:
This is a component of the ubiquinol-cytochrome c reductase complex (complex III or cytochrome b-c1 complex), which is part of the mitochondrial respiratory chain. This protein may mediate formation of the complex between cytochromes c and c1.
Gene Name:
UQCRC1
Uniprot ID:
P31930
Molecular Weight:
52645.305 Da
References
  1. 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 September 11, 2007 11:49 / Updated on August 17, 2016 12:24