Dihydroxy(oxo)molybdenum(6+)
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Identification
- Generic Name
- Dihydroxy(oxo)molybdenum(6+)
- DrugBank Accession Number
- DB04494
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 145.95
Monoisotopic: 147.905801776 - Chemical Formula
- H2MoO3
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism USensor histidine kinase CitA Not Available Klebsiella pneumoniae - 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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 salts / Inorganic oxides
- Substituents
- Inorganic oxide / Inorganic salt / 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
- GKDPEXRCAVYDOG-UHFFFAOYSA-L
- InChI
- InChI=1S/Mo.2H2O.O/h;2*1H2;/q+8;;;/p-2
- IUPAC Name
- dihydroxy(oxo)molybdenumhexakis(ylium)
- SMILES
- O[Mo+6](O)=O
References
Clinical Trials
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 -1.4 Chemaxon pKa (Strongest Acidic) 2.7 Chemaxon Physiological Charge 5 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 57.53 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 6.57 m3·mol-1 Chemaxon Polarizability 5.53 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption - 0.7517 Blood Brain Barrier + 0.9003 Caco-2 permeable - 0.6944 P-glycoprotein substrate Non-substrate 0.8642 P-glycoprotein inhibitor I Non-inhibitor 0.9819 P-glycoprotein inhibitor II Non-inhibitor 0.9934 Renal organic cation transporter Non-inhibitor 0.9479 CYP450 2C9 substrate Non-substrate 0.8115 CYP450 2D6 substrate Non-substrate 0.8421 CYP450 3A4 substrate Non-substrate 0.7713 CYP450 1A2 substrate Non-inhibitor 0.8976 CYP450 2C9 inhibitor Non-inhibitor 0.8909 CYP450 2D6 inhibitor Non-inhibitor 0.9249 CYP450 2C19 inhibitor Non-inhibitor 0.9053 CYP450 3A4 inhibitor Non-inhibitor 0.9741 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9719 Ames test Non AMES toxic 0.839 Carcinogenicity Carcinogens 0.6332 Biodegradation Ready biodegradable 0.6063 Rat acute toxicity 1.8653 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.8102 hERG inhibition (predictor II) Non-inhibitor 0.9574
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Targets
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1. DetailsSensor histidine kinase CitA
- Kind
- Protein
- Organism
- Klebsiella pneumoniae
- Pharmacological action
- Unknown
- General Function
- Phosphorelay sensor kinase activity
- Specific Function
- Member of the two-component regulatory system CitA/CitB. Probably activates CitB by phosphorylation. The periplasmic domain binds H-citrate(2-), which is essential for induction of the citrate-ferm...
- Gene Name
- citA
- Uniprot ID
- P52687
- Uniprot Name
- Sensor histidine kinase CitA
- Molecular Weight
- 61779.46 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52