Dioxo(sulfanyl)molybdenum
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Identification
- Generic Name
- Dioxo(sulfanyl)molybdenum
- DrugBank Accession Number
- DB03328
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 161.01
Monoisotopic: 162.875132812 - Chemical Formula
- HMoO2S
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UXanthine dehydrogenase/oxidase Not Available Humans - 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
- Adverse Effects
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- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of inorganic compounds known as transition metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a transition metal.
- Kingdom
- Inorganic compounds
- Super Class
- Mixed metal/non-metal compounds
- Class
- Transition metal organides
- Sub Class
- Transition metal oxides
- Direct Parent
- Transition metal oxides
- Alternative Parents
- Inorganic sulfides / Inorganic salts / Inorganic oxides
- Substituents
- Inorganic oxide / Inorganic salt / Inorganic sulfide / Transition metal oxide
- Molecular Framework
- Not Available
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- BDSRWPHSAKXXRG-UHFFFAOYSA-M
- InChI
- InChI=1S/Mo.2O.H2S/h;;;1H2/q+1;;;/p-1
- IUPAC Name
- molybdenumoylthiol
- SMILES
- S[Mo](=O)=O
References
- General References
- Not Available
- External Links
- PDB Entries
- 1fiq / 1fo4 / 1jro / 1jrp / 1n5x / 1v97 / 1vdv / 3am9 / 3amz / 3b9j … show 25 more
Clinical Trials
- Clinical Trials
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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
Property Value Source logP -0.3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 34.14 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 9.44 m3·mol-1 Chemaxon Polarizability 7.48 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.9855 Blood Brain Barrier + 0.9818 Caco-2 permeable - 0.5528 P-glycoprotein substrate Non-substrate 0.9293 P-glycoprotein inhibitor I Non-inhibitor 0.9426 P-glycoprotein inhibitor II Non-inhibitor 1.0 Renal organic cation transporter Non-inhibitor 0.9461 CYP450 2C9 substrate Non-substrate 0.8055 CYP450 2D6 substrate Non-substrate 0.8383 CYP450 3A4 substrate Non-substrate 0.7745 CYP450 1A2 substrate Non-inhibitor 0.7907 CYP450 2C9 inhibitor Non-inhibitor 0.7517 CYP450 2D6 inhibitor Non-inhibitor 0.9141 CYP450 2C19 inhibitor Non-inhibitor 0.82 CYP450 3A4 inhibitor Non-inhibitor 0.9691 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.8753 Ames test Non AMES toxic 0.6984 Carcinogenicity Carcinogens 0.6246 Biodegradation Ready biodegradable 0.7654 Rat acute toxicity 3.1937 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.7626 hERG inhibition (predictor II) Non-inhibitor 0.965
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Targets
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1. DetailsXanthine dehydrogenase/oxidase
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Key enzyme in purine degradation. Catalyzes the oxidation of hypoxanthine to xanthine. Catalyzes the oxidation of xanthine to uric acid. Contributes to the generation of reactive oxygen species. Has also low oxidase activity towards aldehydes (in vitro)
- Specific Function
- 2 iron, 2 sulfur cluster binding
- Gene Name
- XDH
- Uniprot ID
- P47989
- Uniprot Name
- Xanthine dehydrogenase/oxidase
- Molecular Weight
- 146422.99 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- 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. [Article]
- 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. [Article]
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52