Identification
- Generic Name
- mu4-sulfido-quadro-tetracopper
- DrugBank Accession Number
- DB03151
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for mu4-sulfido-quadro-tetracopper (DB03151)
- Weight
- Average: 286.249
Monoisotopic: 283.690475006 - Chemical Formula
- Cu4S
- Synonyms
- μ4-sulfido-quadro-tetracopper
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 UOxidoreductase Not Available Marinobacter hydrocarbonoclasticus UNitrous-oxide reductase Not Available Paracoccus denitrificans - 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 organic compounds known as metalloheterocyclic compounds. These are heterocyclic compounds contain one metal ring atom.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Metalloheterocyclic compounds
- Sub Class
- Not Available
- Direct Parent
- Metalloheterocyclic compounds
- Alternative Parents
- Miscellaneous mixed metal/non-metals / Inorganic salts
- Substituents
- Inorganic compound / Inorganic salt / Metalloheterocycle / Miscellaneous mixed metal/non-metal
- Molecular Framework
- Not Available
- External Descriptors
- tetracopper-sulfur cluster (CHEBI:33730)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- IGIWMDIIFLPFOP-UHFFFAOYSA-N
- InChI
- InChI=1S/4Cu.S
- IUPAC Name
- 1lambda4-thia-2,3,4,5-tetracupratetracyclo[2.1.0.0^{1,3}.0^{2,5}]pentane
- SMILES
- [Cu]12[Cu]3[Cu]4[Cu]1S234
References
- General References
- Not Available
- External Links
- PDB Entries
- 1fwx / 1qni / 2iwf / 2iwk / 6rkz / 7apy / 7aq0 / 7aq2 / 7aq3 / 7aq4 … show 5 more
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 Water Solubility 121.0 mg/mL ALOGPS logP -1.2 ALOGPS logP 1 Chemaxon logS -0.38 ALOGPS 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 5.76 m3·mol-1 Chemaxon Polarizability 10.84 Å3 Chemaxon Number of Rings 4 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 + 0.9857 Blood Brain Barrier + 0.9399 Caco-2 permeable - 0.561 P-glycoprotein substrate Non-substrate 0.7707 P-glycoprotein inhibitor I Non-inhibitor 0.9211 P-glycoprotein inhibitor II Non-inhibitor 0.9876 Renal organic cation transporter Non-inhibitor 0.8915 CYP450 2C9 substrate Non-substrate 0.805 CYP450 2D6 substrate Non-substrate 0.8115 CYP450 3A4 substrate Non-substrate 0.7135 CYP450 1A2 substrate Non-inhibitor 0.6477 CYP450 2C9 inhibitor Non-inhibitor 0.6576 CYP450 2D6 inhibitor Non-inhibitor 0.8297 CYP450 2C19 inhibitor Non-inhibitor 0.5721 CYP450 3A4 inhibitor Non-inhibitor 0.892 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.728 Ames test Non AMES toxic 0.5 Carcinogenicity Non-carcinogens 0.7054 Biodegradation Ready biodegradable 0.537 Rat acute toxicity 2.6698 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9824 hERG inhibition (predictor II) Non-inhibitor 0.9452
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.
- Kind
- Protein
- Organism
- Marinobacter hydrocarbonoclasticus
- Pharmacological action
- Unknown
- General Function
- Nitrous-oxide reductase activity
- Specific Function
- Not Available
- Gene Name
- Not Available
- Uniprot ID
- Q7SIA3
- Uniprot Name
- Oxidoreductase
- Molecular Weight
- 65149.93 Da
- Kind
- Protein
- Organism
- Paracoccus denitrificans
- Pharmacological action
- Unknown
- General Function
- Nitrous-oxide reductase activity
- Specific Function
- Nitrous-oxide reductase is part of a bacterial respiratory system which is activated under anaerobic conditions in the presence of nitrate or nitrous oxide.
- Gene Name
- nosZ
- Uniprot ID
- Q51705
- Uniprot Name
- Nitrous-oxide reductase
- Molecular Weight
- 71412.995 Da
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52