Acetylphosphate
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Identification
- Generic Name
- Acetylphosphate
- DrugBank Accession Number
- DB02897
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 140.0319
Monoisotopic: 139.987459782 - Chemical Formula
- C2H5O5P
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UGDP-L-fucose synthase Not Available Escherichia coli (strain K12) UPhosphate acetyltransferase Not Available Bacillus subtilis (strain 168) - 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.Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
Pathway Category Pyruvate Kinase Deficiency Disease Pyruvate Metabolism Metabolic Leigh Syndrome Disease Pyruvate Dehydrogenase Complex Deficiency Disease Pyruvate Decarboxylase E1 Component Deficiency (PDHE1 Deficiency) Disease Primary Hyperoxaluria II, PH2 Disease - 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 acyl monophosphates. These are organic compounds containing a monophosphate linked to an acyl group. They have the general structure R-CO-P(O)(O)OH, R=H or organyl.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Organic phosphoric acids and derivatives
- Sub Class
- Phosphate esters
- Direct Parent
- Acyl monophosphates
- Alternative Parents
- Acetate salts / Monocarboxylic acids and derivatives / Organic salts / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- Acetate salt / Acyl monophosphate / Aliphatic acyclic compound / Carbonyl group / Carboxylic acid derivative / Carboxylic acid salt / Hydrocarbon derivative / Monocarboxylic acid or derivatives / Organic oxide / Organic oxygen compound
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- acyl monophosphate (CHEBI:15350)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 54979W5TJB
- CAS number
- Not Available
- InChI Key
- LIPOUNRJVLNBCD-UHFFFAOYSA-N
- InChI
- InChI=1S/C2H5O5P/c1-2(3)7-8(4,5)6/h1H3,(H2,4,5,6)
- IUPAC Name
- (acetyloxy)phosphonic acid
- SMILES
- CC(=O)OP(O)(O)=O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0001494
- KEGG Compound
- C00227
- PubChem Compound
- 186
- PubChem Substance
- 46505844
- ChemSpider
- 181
- ChEBI
- 15350
- ZINC
- ZINC000003869379
- PDBe Ligand
- UVW
- PDB Entries
- 1e6u / 1e7q / 1e7r / 1e7s / 1xco / 4mva / 4mvj / 5ibz / 6h91 / 6h92
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 17.8 mg/mL ALOGPS logP -0.92 ALOGPS logP -0.88 Chemaxon logS -0.9 ALOGPS pKa (Strongest Acidic) 1.24 Chemaxon pKa (Strongest Basic) -7.4 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 83.83 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 23.8 m3·mol-1 Chemaxon Polarizability 9.87 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption - 0.7929 Blood Brain Barrier + 0.9717 Caco-2 permeable - 0.8253 P-glycoprotein substrate Non-substrate 0.7803 P-glycoprotein inhibitor I Non-inhibitor 0.9673 P-glycoprotein inhibitor II Non-inhibitor 0.9819 Renal organic cation transporter Non-inhibitor 0.9629 CYP450 2C9 substrate Non-substrate 0.7546 CYP450 2D6 substrate Non-substrate 0.874 CYP450 3A4 substrate Non-substrate 0.7305 CYP450 1A2 substrate Non-inhibitor 0.9409 CYP450 2C9 inhibitor Non-inhibitor 0.9281 CYP450 2D6 inhibitor Non-inhibitor 0.9348 CYP450 2C19 inhibitor Non-inhibitor 0.9321 CYP450 3A4 inhibitor Non-inhibitor 0.9645 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9916 Ames test Non AMES toxic 0.9335 Carcinogenicity Carcinogens 0.6008 Biodegradation Not ready biodegradable 0.7193 Rat acute toxicity 2.3670 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9625 hERG inhibition (predictor II) Non-inhibitor 0.9684
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Targets

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1. DetailsGDP-L-fucose synthase
- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Nadp+ binding
- Specific Function
- Catalyzes the two-step NADP-dependent conversion of GDP-4-dehydro-6-deoxy-D-mannose to GDP-fucose, involving an epimerase and a reductase reaction.
- Gene Name
- fcl
- Uniprot ID
- P32055
- Uniprot Name
- GDP-L-fucose synthase
- Molecular Weight
- 36140.87 Da
References
2. DetailsPhosphate acetyltransferase
- Kind
- Protein
- Organism
- Bacillus subtilis (strain 168)
- Pharmacological action
- Unknown
- General Function
- Phosphate acetyltransferase activity
- Specific Function
- Not Available
- Gene Name
- pta
- Uniprot ID
- P39646
- Uniprot Name
- Phosphate acetyltransferase
- Molecular Weight
- 34790.34 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52