Hexatantalum Dodecabromide
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Identification
- Generic Name
- Hexatantalum Dodecabromide
- DrugBank Accession Number
- DB04119
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 2055.623
Monoisotopic: 2043.794105192 - Chemical Formula
- Br12H11Ta6
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UCalcium/calmodulin-dependent protein kinase type II subunit alpha Not Available Humans UUbiquitin-like modifier-activating enzyme 1 Not Available Humans - 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
- YWYIQTPPCOBSGN-UHFFFAOYSA-M
- InChI
- InChI=1S/12BrH.6Ta/h12*1H;;;;;;/q;;;;;;;;;;;;;;;;;+1/p-1
- IUPAC Name
- tantalum(1+) undecahydrobromide pentatantalum bromide
- SMILES
- Br.Br.Br.Br.Br.Br.Br.Br.Br.Br.Br.[Br-].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta+]
References
- General References
- Not Available
- External Links
- PDB Entries
- 1dd4 / 1hkx / 1z7l / 2bvl / 3c0v / 3en9 / 3enh / 3ott / 3rwr / 3rzs … show 12 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 0.8 Chemaxon pKa (Strongest Acidic) -8 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 0 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 0 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 8.6 m3·mol-1 Chemaxon Polarizability 3.36 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 + 0.9955 Blood Brain Barrier + 0.9508 Caco-2 permeable - 0.5414 P-glycoprotein substrate Non-substrate 0.7212 P-glycoprotein inhibitor I Non-inhibitor 0.8442 P-glycoprotein inhibitor II Non-inhibitor 0.7937 Renal organic cation transporter Non-inhibitor 0.7708 CYP450 2C9 substrate Non-substrate 0.8309 CYP450 2D6 substrate Non-substrate 0.7885 CYP450 3A4 substrate Non-substrate 0.6092 CYP450 1A2 substrate Non-inhibitor 0.5383 CYP450 2C9 inhibitor Non-inhibitor 0.5881 CYP450 2D6 inhibitor Non-inhibitor 0.8194 CYP450 2C19 inhibitor Non-inhibitor 0.5315 CYP450 3A4 inhibitor Non-inhibitor 0.5209 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.7009 Ames test AMES toxic 0.6455 Carcinogenicity Non-carcinogens 0.835 Biodegradation Not ready biodegradable 1.0 Rat acute toxicity 2.7873 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9809 hERG inhibition (predictor II) Non-inhibitor 0.8377
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
- Humans
- Pharmacological action
- Unknown
- General Function
- Protein serine/threonine kinase activity
- Specific Function
- CaM-kinase II (CAMK2) is a prominent kinase in the central nervous system that may function in long-term potentiation and neurotransmitter release. Member of the NMDAR signaling complex in excitato...
- Gene Name
- CAMK2A
- Uniprot ID
- Q9UQM7
- Uniprot Name
- Calcium/calmodulin-dependent protein kinase type II subunit alpha
- Molecular Weight
- 54087.265 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Ubiquitin-protein transferase activity
- Specific Function
- Catalyzes the first step in ubiquitin conjugation to mark cellular proteins for degradation through the ubiquitin-proteasome system (PubMed:1606621, PubMed:1447181). Activates ubiquitin by first ad...
- Gene Name
- UBA1
- Uniprot ID
- P22314
- Uniprot Name
- Ubiquitin-like modifier-activating enzyme 1
- Molecular Weight
- 117848.075 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52