Explore a selection of our essential drug information below, or:
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
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Not Available
- Mechanism of action
Target Actions Organism ANitric oxide synthase 3 inhibitorHumans AAldo-keto reductase family 1 member B1 inhibitorHumans UGag-Pol polyprotein Not Available 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
- 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
- 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 54 more
Clinical Trials
- Clinical Trials
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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
- Humans
- Pharmacological action
- Yes
- Actions
- Inhibitor
- General Function
- Produces nitric oxide (NO) which is implicated in vascular smooth muscle relaxation through a cGMP-mediated signal transduction pathway (PubMed:1378832). NO mediates vascular endothelial growth factor (VEGF)-induced angiogenesis in coronary vessels and promotes blood clotting through the activation of platelets
- Specific Function
- Actin monomer binding
- Gene Name
- NOS3
- Uniprot ID
- P29474
- Uniprot Name
- Nitric oxide synthase 3
- Molecular Weight
- 133273.59 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]
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Inhibitor
- General Function
- Catalyzes the NADPH-dependent reduction of a wide variety of carbonyl-containing compounds to their corresponding alcohols. Displays enzymatic activity towards endogenous metabolites such as aromatic and aliphatic aldehydes, ketones, monosacharides, bile acids and xenobiotics substrates. Key enzyme in the polyol pathway, catalyzes reduction of glucose to sorbitol during hyperglycemia (PubMed:1936586). Reduces steroids and their derivatives and prostaglandins. Displays low enzymatic activity toward all-trans-retinal, 9-cis-retinal, and 13-cis-retinal (PubMed:12732097, PubMed:19010934, PubMed:8343525). Catalyzes the reduction of diverse phospholipid aldehydes such as 1-palmitoyl-2-(5-oxovaleroyl)-sn -glycero-3-phosphoethanolamin (POVPC) and related phospholipid aldehydes that are generated from the oxydation of phosphotidylcholine and phosphatdyleethanolamides (PubMed:17381426). Plays a role in detoxifying dietary and lipid-derived unsaturated carbonyls, such as crotonaldehyde, 4-hydroxynonenal, trans-2-hexenal, trans-2,4-hexadienal and their glutathione-conjugates carbonyls (GS-carbonyls) (PubMed:21329684)
- Specific Function
- Aldose reductase (nadph) activity
- Gene Name
- AKR1B1
- Uniprot ID
- P15121
- Uniprot Name
- Aldo-keto reductase family 1 member B1
- Molecular Weight
- 35853.125 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]
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
- 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
- Functions as a signal transducer for the rod photoreceptor RHO. Required for normal RHO-mediated light perception by the retina (PubMed:22190596). Guanine nucleotide-binding proteins (G proteins) function as transducers downstream of G protein-coupled receptors (GPCRs), such as the photoreceptor RHO. The alpha chain contains the guanine nucleotide binding site and alternates between an active, GTP-bound state and an inactive, GDP-bound state. Activated RHO promotes GDP release and GTP binding. Signaling is mediated via downstream effector proteins, such as cGMP-phosphodiesterase (By similarity)
- Specific Function
- Acyl binding
- 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 August 26, 2024 19:22