Tetra(imidazole)diaquacopper (I)
Star0
Identification
- Generic Name
- Tetra(imidazole)diaquacopper (I)
- DrugBank Accession Number
- DB04231
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 371.886
Monoisotopic: 371.100523003 - Chemical Formula
- C12H20CuN8O2
- 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 UAzurin Not Available Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228) - 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
- HBZDUNQUBNOQIC-UHFFFAOYSA-N
- InChI
- InChI=1S/4C3H4N2.Cu.2H2O/c4*1-2-5-3-4-1;;;/h4*1-3H,(H,4,5);;2*1H2/q;;;;+1;;
- IUPAC Name
- tris(1H-imidazol-3-ium-3-yl)(3H-1lambda4-imidazol-1-yl)dioxidaniumylcoppertetrauide
- SMILES
- [OH2+][Cu-4]([OH2+])([N]1=CNC=C1)([N+]1=CNC=C1)([N+]1=CNC=C1)[N+]1=CNC=C1
References
- General References
- Not Available
- External Links
- PDB Entries
- 1jzg
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 Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 0 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 117.43 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 109.69 m3·mol-1 Chemaxon Polarizability 32.71 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.5145 Blood Brain Barrier + 0.9734 Caco-2 permeable - 0.5589 P-glycoprotein substrate Non-substrate 0.8418 P-glycoprotein inhibitor I Non-inhibitor 0.9652 P-glycoprotein inhibitor II Non-inhibitor 0.9835 Renal organic cation transporter Non-inhibitor 0.9114 CYP450 2C9 substrate Non-substrate 0.75 CYP450 2D6 substrate Non-substrate 0.8342 CYP450 3A4 substrate Non-substrate 0.7372 CYP450 1A2 substrate Non-inhibitor 0.835 CYP450 2C9 inhibitor Non-inhibitor 0.911 CYP450 2D6 inhibitor Non-inhibitor 0.9129 CYP450 2C19 inhibitor Non-inhibitor 0.8768 CYP450 3A4 inhibitor Non-inhibitor 0.9188 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9805 Ames test Non AMES toxic 0.6978 Carcinogenicity Non-carcinogens 0.8698 Biodegradation Ready biodegradable 0.5851 Rat acute toxicity 2.2295 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9335 hERG inhibition (predictor II) Non-inhibitor 0.8962
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Targets
Build, predict & validate machine-learning models
Use our structured and evidence-based datasets to unlock newinsights and accelerate drug research.
Use our structured and evidence-based datasets to unlock new insights and accelerate drug research.
1. DetailsAzurin
- Kind
- Protein
- Organism
- Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)
- Pharmacological action
- Unknown
- General Function
- Zinc ion binding
- Specific Function
- Transfers electrons from cytochrome c551 to cytochrome oxidase.
- Gene Name
- azu
- Uniprot ID
- P00282
- Uniprot Name
- Azurin
- Molecular Weight
- 16008.315 Da
References
Drug created at June 13, 2005 13:24 / Updated at October 16, 2020 03:34