Myxothiazol

Identification

Name
Myxothiazol
Accession Number
DB04741
Type
Small Molecule
Groups
Experimental
Description
Not 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
Categories
UNII
Not Available
CAS number
76706-55-3
Weight
Average: 487.678
Monoisotopic: 487.196333317
Chemical Formula
C25H33N3O3S2
InChI Key
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

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
TargetActionsOrganism
UCytochrome b-c1 complex subunit 1, mitochondrialNot AvailableHuman
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
AgmatineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Agmatine.Experimental, Investigational
AmiodaroneThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Amiodarone.Approved, Investigational
AmlodipineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Amlodipine.Approved
Amphotericin BThe therapeutic efficacy of Amphotericin B can be decreased when used in combination with Myxothiazol.Approved, Investigational
AmrinoneThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Amrinone.Approved
AranidipineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Aranidipine.Approved, Investigational
AzelnidipineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Azelnidipine.Approved, Investigational
AzimilideThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Azimilide.Investigational
BarnidipineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Barnidipine.Approved
BencyclaneThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Bencyclane.Experimental
BenidipineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Benidipine.Approved, Investigational
BepridilThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Bepridil.Approved, Withdrawn
BioallethrinThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Bioallethrin.Approved, Experimental
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
CarboxyamidotriazoleThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Carboxyamidotriazole.Investigational
CaroverineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Caroverine.Experimental
CilnidipineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Cilnidipine.Approved, Investigational
CinnarizineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Cinnarizine.Approved, Investigational
CisaprideThe serum concentration of Cisapride can be increased when it is combined with Myxothiazol.Approved, Investigational, Withdrawn
ClevidipineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Clevidipine.Approved, Investigational
CyclandelateThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Cyclandelate.Approved
CyclosporineThe metabolism of Cyclosporine can be decreased when combined with Myxothiazol.Approved, Investigational, Vet Approved
DarodipineThe therapeutic efficacy of Myxothiazol can be increased when used in combination 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 therapeutic efficacy of Myxothiazol can be increased when used in combination with Diltiazem.Approved, Investigational
DocetaxelThe metabolism of Docetaxel can be decreased when combined with Myxothiazol.Approved, Investigational
DofetilideThe serum concentration of Dofetilide can be increased when it is combined with Myxothiazol.Approved, Investigational
DotarizineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Dotarizine.Investigational
EfonidipineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Efonidipine.Approved, Investigational
EperisoneThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Eperisone.Approved, Investigational
EthosuximideThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Ethosuximide.Approved
EtravirineThe serum concentration of Etravirine can be increased when it is combined with Myxothiazol.Approved
FelodipineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Felodipine.Approved, Investigational
FendilineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Fendiline.Withdrawn
Fish oilThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Fish oil.Approved, Nutraceutical
FlunarizineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Flunarizine.Approved
FluspirileneThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Fluspirilene.Approved, Investigational
FosphenytoinThe serum concentration of Myxothiazol can be decreased when it is combined with Fosphenytoin.Approved, Investigational
GabapentinThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Gabapentin.Approved, Investigational
GallopamilThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Gallopamil.Investigational
IsradipineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Isradipine.Approved, Investigational
LacidipineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Lacidipine.Approved, Investigational
LamotrigineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Lamotrigine.Approved, Investigational
LercanidipineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Lercanidipine.Approved, Investigational
LevetiracetamThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Levetiracetam.Approved, Investigational
LidoflazineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Lidoflazine.Experimental
LoperamideThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Loperamide.Approved
LosartanThe metabolism of Losartan can be decreased when combined with Myxothiazol.Approved
Magnesium sulfateThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Magnesium sulfate.Approved, Investigational, Vet Approved
ManidipineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Manidipine.Approved, Investigational
MentholThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Menthol.Approved
MethsuximideThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Methsuximide.Approved
MibefradilThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Mibefradil.Investigational, Withdrawn
NaftopidilThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Naftopidil.Investigational
NicardipineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Nicardipine.Approved, Investigational
NifedipineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Nifedipine.Approved
NiguldipineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Niguldipine.Experimental
NiludipineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Niludipine.Experimental
NilvadipineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Nilvadipine.Approved, Investigational
NimesulideThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Nimesulide.Approved, Investigational, Withdrawn
NimodipineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Nimodipine.Approved, Investigational
NisoldipineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Nisoldipine.Approved
NitrendipineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Nitrendipine.Approved, Investigational
NylidrinThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Nylidrin.Approved
OtiloniumThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Otilonium.Experimental, Investigational
PhenytoinThe serum concentration of Phenytoin can be increased when it is combined with Myxothiazol.Approved, Vet Approved
PinaveriumThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Pinaverium.Approved
PrenylamineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Prenylamine.Withdrawn
ProgesteroneThe absorption of Progesterone can be decreased when combined with Myxothiazol.Approved, Vet Approved
QuinidineThe serum concentration of Quinidine can be increased when it is combined with Myxothiazol.Approved, Investigational
RanolazineThe serum concentration of Ranolazine can be increased when it is combined with Myxothiazol.Approved, Investigational
RifabutinThe serum concentration of Rifabutin can be increased when it is combined with Myxothiazol.Approved, Investigational
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, Investigational
RifaximinThe serum concentration of Rifaximin can be increased when it is combined with Myxothiazol.Approved, Investigational
SeletracetamThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Seletracetam.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
TerodilineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Terodiline.Experimental
TetrahydropalmatineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Tetrahydropalmatine.Investigational
Tolfenamic AcidThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Tolfenamic Acid.Approved, Investigational
TranilastThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Tranilast.Approved, Investigational
TrimebutineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Trimebutine.Approved
TrimethadioneThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Trimethadione.Approved
VerapamilThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Verapamil.Approved
VinpocetineThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Vinpocetine.Investigational
WIN 55212-2The therapeutic efficacy of Myxothiazol can be increased when used in combination with WIN 55212-2.Experimental
ZiconotideThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Ziconotide.Approved
ZolpidemThe serum concentration of Zolpidem can be increased when it is combined with Myxothiazol.Approved
ZonisamideThe therapeutic efficacy of Myxothiazol can be increased when used in combination with Zonisamide.Approved, Investigational
Food Interactions
Not Available

References

General References
Not Available
External Links
KEGG Compound
C15674
PubChem Compound
10972974
PubChem Substance
46507900
ChemSpider
9148180
ChEBI
25461
ChEMBL
CHEMBL454568
HET
MYX
Wikipedia
Myxothiazol
PDB Entries
1sqp / 5yjx

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not 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 FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
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)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
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 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at the positions 2 and 3.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Azoles
Sub Class
Thiazoles
Direct Parent
2,4-disubstituted thiazoles
Alternative Parents
Vinylogous esters / Heteroaromatic compounds / Primary carboxylic acid amides / Dialkyl ethers / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
2,4-disubstituted 1,3-thiazole / Vinylogous ester / Heteroaromatic compound / Carboxamide group / Primary carboxylic acid amide / Carboxylic acid derivative / Dialkyl ether / Ether / Azacycle / Organooxygen compound
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not 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 formatio...
Gene Name
UQCRC1
Uniprot ID
P31930
Uniprot Name
Cytochrome b-c1 complex subunit 1, mitochondrial
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]

Drug created on September 11, 2007 11:49 / Updated on June 02, 2018 07:34