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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 KeyInChIKey=XKTFQMCPGMTBMD-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
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
Pharmacology
IndicationNot Available
PharmacodynamicsNot Available
Mechanism of actionNot Available
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
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
References
Synthesis ReferenceNot Available
General ReferencesNot Available
External Links
ATC CodesNot Available
AHFS CodesNot Available
PDB EntriesNot Available
FDA labelNot Available
MSDSNot Available
Interactions
Drug Interactions
Drug
AmlodipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Amlodipine.
Amphotericin BThe therapeutic efficacy of Amphotericin B can be decreased when used in combination with Myxothiazol.
AmrinoneThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Amrinone.
AzelnidipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Azelnidipine.
AzimilideThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Azimilide.
BarnidipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Barnidipine.
BenidipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Benidipine.
BepridilThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Bepridil.
BuspironeThe metabolism of Buspirone can be decreased when combined with Myxothiazol.
BusulfanThe serum concentration of Busulfan can be increased when it is combined with Myxothiazol.
CilnidipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Cilnidipine.
CinnarizineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Cinnarizine.
CisaprideThe serum concentration of Cisapride can be increased when it is combined with Myxothiazol.
ConivaptanThe metabolism of Conivaptan can be decreased when combined with Myxothiazol.
CyclosporineThe metabolism of Cyclosporine can be decreased when combined with Myxothiazol.
DarodipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Darodipine.
DidanosineDidanosine can cause a decrease in the absorption of Myxothiazol resulting in a reduced serum concentration and potentially a decrease in efficacy.
DiltiazemThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Diltiazem.
DocetaxelThe metabolism of Docetaxel can be decreased when combined with Myxothiazol.
DofetilideThe metabolism of Dofetilide can be decreased when combined with Myxothiazol.
DotarizineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Dotarizine.
EfonidipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Efonidipine.
EperisoneThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Eperisone.
EtravirineThe serum concentration of Etravirine can be increased when it is combined with Myxothiazol.
FelodipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Felodipine.
FendilineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Fendiline.
FlunarizineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Flunarizine.
FosphenytoinThe serum concentration of Myxothiazol can be decreased when it is combined with Fosphenytoin.
GabapentinThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Gabapentin.
IsradipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Isradipine.
LacidipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Lacidipine.
LamotrigineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Lamotrigine.
LercanidipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Lercanidipine.
LosartanThe metabolism of Losartan can be decreased when combined with Myxothiazol.
Magnesium SulfateThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Magnesium Sulfate.
ManidipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Manidipine.
MibefradilThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Mibefradil.
NicardipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Nicardipine.
NifedipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Nifedipine.
NiguldipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Niguldipine.
NiludipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Niludipine.
NilvadipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Nilvadipine.
NimesulideThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Nimesulide.
NimodipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Nimodipine.
NisoldipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Nisoldipine.
NitrendipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Nitrendipine.
PerhexilineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Perhexiline.
PhenytoinThe serum concentration of Phenytoin can be increased when it is combined with Myxothiazol.
PimozideMyxothiazol may increase the arrhythmogenic activities of Pimozide.
PinaveriumThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Pinaverium.
PregabalinThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Pregabalin.
PrenylamineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Prenylamine.
ProgesteroneThe therapeutic efficacy of Progesterone can be decreased when used in combination with Myxothiazol.
QuinidineThe metabolism of Quinidine can be decreased when combined with Myxothiazol.
RanolazineThe metabolism of Ranolazine can be decreased when combined with Myxothiazol.
RisedronateThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Risedronate.
SolifenacinThe metabolism of Solifenacin can be decreased when combined with Myxothiazol.
SucralfateSucralfate can cause a decrease in the absorption of Myxothiazol resulting in a reduced serum concentration and potentially a decrease in efficacy.
SunitinibThe metabolism of Sunitinib can be decreased when combined with Myxothiazol.
TacrolimusThe metabolism of Tacrolimus can be decreased when combined with Myxothiazol.
Tolfenamic AcidThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Tolfenamic Acid.
TranilastThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Tranilast.
VerapamilThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Verapamil.
XylometazolineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Xylometazoline.
ZiconotideThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Ziconotide.
ZolpidemThe serum concentration of Zolpidem can be increased when it is combined with Myxothiazol.
Food InteractionsNot 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