Identification
- Generic Name
- Heptamolybdate
- DrugBank Accession Number
- DB04414
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Heptamolybdate (DB04414)
- Weight
- Average: 1097.9
Monoisotopic: 1111.544457194 - Chemical Formula
- H42Mo7O24
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- PJSKUNJZAAFMGT-UHFFFAOYSA-H
- InChI
- InChI=1S/7Mo.24H2O/h;;;;;;;24*1H2/p-6
- IUPAC Name
- octadecahydrate heptamolybdenum hexahydroxide
- SMILES
- O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo]
References
- Synthesis Reference
Richard A. Ronzio, Phillip K. Davis, Robert C. Ziegler, "Process for producing ammonium heptamolybdate and/or ammonium dimolybdate." U.S. Patent US4079116, issued June, 1976.
US4079116- General References
- Not Available
- External Links
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 0 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 0 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 0 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 0 m3·mol-1 Chemaxon Polarizability 1.78 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.6652 Blood Brain Barrier + 0.9226 Caco-2 permeable - 0.5115 P-glycoprotein substrate Non-substrate 0.6873 P-glycoprotein inhibitor I Non-inhibitor 0.8879 P-glycoprotein inhibitor II Non-inhibitor 0.9766 Renal organic cation transporter Non-inhibitor 0.8932 CYP450 2C9 substrate Non-substrate 0.8742 CYP450 2D6 substrate Non-substrate 0.8114 CYP450 3A4 substrate Non-substrate 0.6286 CYP450 1A2 substrate Non-inhibitor 0.6291 CYP450 2C9 inhibitor Non-inhibitor 0.7802 CYP450 2D6 inhibitor Non-inhibitor 0.8816 CYP450 2C19 inhibitor Non-inhibitor 0.6951 CYP450 3A4 inhibitor Non-inhibitor 0.6404 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9563 Ames test Non AMES toxic 0.5596 Carcinogenicity Non-carcinogens 0.8548 Biodegradation Not ready biodegradable 0.86 Rat acute toxicity 2.6333 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.8517 hERG inhibition (predictor II) Non-inhibitor 0.9571
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Targets
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- 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