Cobalt hexammine ion
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Identification
- Generic Name
- Cobalt hexammine ion
- DrugBank Accession Number
- DB03350
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 161.118
Monoisotopic: 161.090843 - Chemical Formula
- CoH18N6
- Synonyms
- Cobalt Hexammine(III)
- hexaamminecobalt(3+)
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UOuter membrane protein TolC Not Available Escherichia coli (strain K12) UChorismate synthase Not Available Streptococcus pneumoniae (strain ATCC BAA-255 / R6) - 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 miscellaneous mixed metal/non-metals. These are inorganic compounds containing non-metal as well as metal atoms but not belonging to afore mentioned classes.
- Kingdom
- Inorganic compounds
- Super Class
- Mixed metal/non-metal compounds
- Class
- Miscellaneous mixed metal/non-metals
- Sub Class
- Not Available
- Direct Parent
- Miscellaneous mixed metal/non-metals
- Alternative Parents
- Inorganic cobalt salts
- Substituents
- Inorganic cobalt salt / Inorganic salt / Miscellaneous mixed metal/non-metal
- Molecular Framework
- Not Available
- External Descriptors
- cobalt coordination entity, trivalent inorganic cation (CHEBI:30027)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- DYLMFCCYOUSRTK-UHFFFAOYSA-N
- InChI
- InChI=1S/Co.6H3N/h;6*1H3/q+3;;;;;;
- IUPAC Name
- hexaazaniumylcobalttriuide
- SMILES
- [NH3+][Co-3]([NH3+])([NH3+])([NH3+])([NH3+])[NH3+]
References
- General References
- Not Available
- External Links
- PDB Entries
- 1ajf / 1c0o / 1d8x / 1d9r / 1dn8 / 1f69 / 1f78 / 1f79 / 1f7h / 1f7i … show 250 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 logP -2.4 Chemaxon pKa (Strongest Basic) 9.93 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 0 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 165.84 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 93.09 m3·mol-1 Chemaxon Polarizability 13.87 Å3 Chemaxon Number of Rings 0 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 - 0.5241 Blood Brain Barrier + 0.9412 Caco-2 permeable - 0.6162 P-glycoprotein substrate Non-substrate 0.8491 P-glycoprotein inhibitor I Non-inhibitor 0.9875 P-glycoprotein inhibitor II Non-inhibitor 0.9882 Renal organic cation transporter Non-inhibitor 0.9325 CYP450 2C9 substrate Non-substrate 0.8297 CYP450 2D6 substrate Non-substrate 0.8013 CYP450 3A4 substrate Non-substrate 0.8074 CYP450 1A2 substrate Non-inhibitor 0.9003 CYP450 2C9 inhibitor Non-inhibitor 0.8337 CYP450 2D6 inhibitor Non-inhibitor 0.9413 CYP450 2C19 inhibitor Non-inhibitor 0.8993 CYP450 3A4 inhibitor Non-inhibitor 0.92 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9581 Ames test Non AMES toxic 0.6793 Carcinogenicity Non-carcinogens 0.5899 Biodegradation Not ready biodegradable 0.7743 Rat acute toxicity 2.4113 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9631 hERG inhibition (predictor II) Non-inhibitor 0.9591
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Targets
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1. DetailsOuter membrane protein TolC
- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Porin activity
- Specific Function
- Outer membrane channel, which is required for the function of several efflux systems such as AcrAB-TolC, AcrEF-TolC, EmrAB-TolC and MacAB-TolC. These systems are involved in export of antibiotics a...
- Gene Name
- tolC
- Uniprot ID
- P02930
- Uniprot Name
- Outer membrane protein TolC
- Molecular Weight
- 53740.24 Da
References
2. DetailsChorismate synthase
- Kind
- Protein
- Organism
- Streptococcus pneumoniae (strain ATCC BAA-255 / R6)
- Pharmacological action
- Unknown
- General Function
- Chorismate synthase activity
- Specific Function
- Catalyzes the anti-1,4-elimination of the C-3 phosphate and the C-6 proR hydrogen from 5-enolpyruvylshikimate-3-phosphate (EPSP) to yield chorismate, which is the branch point compound that serves ...
- Gene Name
- aroC
- Uniprot ID
- P0A2Y7
- Uniprot Name
- Chorismate synthase
- Molecular Weight
- 42871.475 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52