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[[email protected]@H](\C=C\C1=CSC(=N1)C1=CSC(=N1)[[email protected]@H](C)\C=C\C=C\C(C)C)[[email protected]@H](C)C(\OC)=C/C(N)=O

Pharmacology

Indication
Not Available
Structured Indications
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
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, Investigational
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
BencyclaneThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Bencyclane.Experimental
BenidipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Benidipine.Approved, Investigational
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
CarboxyamidotriazoleThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Carboxyamidotriazole.Investigational
CaroverineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Caroverine.Experimental
CilnidipineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Cilnidipine.Approved, Investigational
CinnarizineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Cinnarizine.Approved, Investigational
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
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 serum concentration of Dofetilide can be increased when it is 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, Investigational
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, Investigational
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
LidoflazineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Lidoflazine.Experimental
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, Investigational
MibefradilThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Mibefradil.Investigational, 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, Investigational
NimesulideThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Nimesulide.Approved, Investigational, 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, Investigational
OtiloniumThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Otilonium.Experimental, Investigational
PerhexilineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Perhexiline.Approved, Investigational
PhenytoinThe serum concentration of Phenytoin can be increased when it is combined with Myxothiazol.Approved, Vet 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 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
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
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
RifaximinThe serum concentration of Rifaximin can be increased when it is combined with Myxothiazol.Approved, Investigational
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
TerodilineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Terodiline.Experimental
TetrahydropalmatineThe risk or severity of adverse effects can be increased when Myxothiazol is combined with Tetrahydropalmatine.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 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
PDB Entries
1sqp

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 December 01, 2017 15:32