Identification
- Generic Name
- Cacodylic acid
- DrugBank Accession Number
- DB02994
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Cacodylic acid (DB02994)
- Weight
- Average: 137.9974
Monoisotopic: 137.966200885 - Chemical Formula
- C2H7AsO2
- Synonyms
- Dimethylarsenic acid
- Dimethylarsinic acid
- Hydroxydimethylarsine oxide
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 UGag-Pol polyprotein Not Available UNitric oxide synthase, endothelial Not Available Humans UAldose reductase Not Available Humans UGuanine nucleotide-binding protein G(t) subunit alpha-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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
- Not Available
Interactions
- Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
- 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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as pentaorganoarsanes. These are organoarsenic compounds containing an arsenic compound that is pentasubstituted by only organic groups.
- Kingdom
- Organic compounds
- Super Class
- Organometallic compounds
- Class
- Organometalloid compounds
- Sub Class
- Organoarsenic compounds
- Direct Parent
- Pentaorganoarsanes
- Alternative Parents
- Organic metalloid salts / Alkylarsine oxides / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives
- Substituents
- Aliphatic acyclic compound / Alkylarsine oxide / Hydrocarbon derivative / Organic metalloid salt / Organic oxide / Organic oxygen compound / Organic salt / Organopnictogen compound / Oxygen-containing organoarsenic compound / Pentaorganoarsane
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- organoarsenic compound (CHEBI:48765) / Arsenical herbicides (C07308)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- AJ2HL7EU8K
- CAS number
- 75-60-5
- InChI Key
- OGGXGZAMXPVRFZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)
- IUPAC Name
- dimethylarsinic acid
- SMILES
- C[As](C)(O)=O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0094715
- KEGG Compound
- C07308
- PubChem Compound
- 2513
- PubChem Substance
- 46507712
- ChemSpider
- 2418
- ChEBI
- 48765
- ChEMBL
- CHEMBL1231644
- PDBe Ligand
- CAD
- Wikipedia
- Cacodylic_acid
- PDB Entries
- 1d0c / 1d0o / 1d1v / 1d1w / 1d1x / 1d1y / 1ed4 / 1ed5 / 1ed6 / 3jww … show 53 more
Clinical Trials
- Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count
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 255.0 mg/mL ALOGPS logP -0.48 ALOGPS logP -0.33 Chemaxon logS 0.27 ALOGPS pKa (Strongest Acidic) 6.22 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 37.3 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 15.9 m3·mol-1 Chemaxon Polarizability 9.18 Å3 Chemaxon Number of Rings 0 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 + 0.8505 Blood Brain Barrier + 0.9664 Caco-2 permeable + 0.5129 P-glycoprotein substrate Non-substrate 0.8004 P-glycoprotein inhibitor I Non-inhibitor 0.9678 P-glycoprotein inhibitor II Non-inhibitor 0.9949 Renal organic cation transporter Non-inhibitor 0.9381 CYP450 2C9 substrate Non-substrate 0.7814 CYP450 2D6 substrate Non-substrate 0.8675 CYP450 3A4 substrate Non-substrate 0.6323 CYP450 1A2 substrate Non-inhibitor 0.8719 CYP450 2C9 inhibitor Non-inhibitor 0.8963 CYP450 2D6 inhibitor Non-inhibitor 0.9275 CYP450 2C19 inhibitor Non-inhibitor 0.8774 CYP450 3A4 inhibitor Non-inhibitor 0.9727 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9768 Ames test Non AMES toxic 0.7854 Carcinogenicity Carcinogens 0.7569 Biodegradation Not ready biodegradable 0.9034 Rat acute toxicity 1.5940 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9412 hERG inhibition (predictor II) Non-inhibitor 0.9385
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 99.6002953 predictedDarkChem Lite v0.1.0 [M-H]- 99.5829953 predictedDarkChem Lite v0.1.0 [M-H]- 99.5974953 predictedDarkChem Lite v0.1.0 [M-H]- 99.6002953 predictedDarkChem Lite v0.1.0 [M-H]- 99.5829953 predictedDarkChem Lite v0.1.0 [M-H]- 99.5974953 predictedDarkChem Lite v0.1.0
Targets
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Use our structured and evidence-based datasets to unlock newinsights and accelerate drug research.
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- Kind
- Protein
- Organism
- Not Available
- Pharmacological action
- Unknown
- General Function
- Zinc ion binding
- Specific Function
- Gag-Pol polyprotein: Mediates, with Gag polyrotein, the essential events in virion assembly, including binding the plasma membrane, making the protein-protein interactions necessary to create spher...
- Gene Name
- gag-pol
- Uniprot ID
- P12497
- Uniprot Name
- Gag-Pol polyprotein
- Molecular Weight
- 161787.87 Da
References
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Tetrahydrobiopterin binding
- Specific Function
- Produces nitric oxide (NO) which is implicated in vascular smooth muscle relaxation through a cGMP-mediated signal transduction pathway. NO mediates vascular endothelial growth factor (VEGF)-induce...
- Gene Name
- NOS3
- Uniprot ID
- P29474
- Uniprot Name
- Nitric oxide synthase, endothelial
- Molecular Weight
- 133287.62 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
- Glyceraldehyde oxidoreductase activity
- Specific Function
- Catalyzes the NADPH-dependent reduction of a wide variety of carbonyl-containing compounds to their corresponding alcohols with a broad range of catalytic efficiencies.
- Gene Name
- AKR1B1
- Uniprot ID
- P15121
- Uniprot Name
- Aldose reductase
- Molecular Weight
- 35853.125 Da
References
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Signal transducer activity
- Specific Function
- Guanine nucleotide-binding proteins (G proteins) are involved as modulators or transducers in various transmembrane signaling systems. Transducin is an amplifier and one of the transducers of a vis...
- Gene Name
- GNAT1
- Uniprot ID
- P11488
- Uniprot Name
- Guanine nucleotide-binding protein G(t) subunit alpha-1
- Molecular Weight
- 40040.415 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