Desoxycorticosterone acetate
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Desoxycorticosterone acetate
- DrugBank Accession Number
- DB06780
- Background
Not Available
- Type
- Small Molecule
- Groups
- Approved
- Structure
- Weight
- Average: 372.505
Monoisotopic: 372.23005951 - Chemical Formula
- C23H32O4
- Synonyms
- 11-deoxycorticosterone acetate
- Deoxycorticosterone acetate
- Desoxycorticosterone acetate
- Desoxycorticosterone-21-acetate
- Desoxycortone acetate
- DOCA
- External IDs
- BRN 2570798
- CCRIS 7517
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UMineralocorticoid receptor agonistHumans - 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAbametapir The serum concentration of Desoxycorticosterone acetate can be increased when it is combined with Abametapir. Amiodarone The metabolism of Desoxycorticosterone acetate can be decreased when combined with Amiodarone. Amprenavir The metabolism of Desoxycorticosterone acetate can be decreased when combined with Amprenavir. Apalutamide The serum concentration of Desoxycorticosterone acetate can be decreased when it is combined with Apalutamide. Aprepitant The metabolism of Desoxycorticosterone acetate can be decreased when combined with Aprepitant. - Food Interactions
- Not Available
Categories
- Drug Categories
- Adrenal Cortex Hormones
- Corticosteroids
- Cytochrome P-450 CYP3A Substrates
- Cytochrome P-450 CYP3A4 Substrates
- Cytochrome P-450 Substrates
- Desoxycorticosterone
- Fused-Ring Compounds
- Hormones
- Hormones, Hormone Substitutes, and Hormone Antagonists
- Hydroxycorticosteroids
- Mineralocorticoids
- Pregnanes
- Pregnenediones
- Pregnenes
- Steroids
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety.
- Kingdom
- Organic compounds
- Super Class
- Lipids and lipid-like molecules
- Class
- Steroids and steroid derivatives
- Sub Class
- Pregnane steroids
- Direct Parent
- Gluco/mineralocorticoids, progestogins and derivatives
- Alternative Parents
- 20-oxosteroids / 3-oxo delta-4-steroids / Delta-4-steroids / Cyclohexenones / Alpha-acyloxy ketones / Carboxylic acid esters / Monocarboxylic acids and derivatives / Organic oxides / Hydrocarbon derivatives
- Substituents
- 20-oxosteroid / 3-oxo-delta-4-steroid / 3-oxosteroid / Aliphatic homopolycyclic compound / Alpha-acyloxy ketone / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Cyclic ketone / Cyclohexenone
- Molecular Framework
- Aliphatic homopolycyclic compounds
- External Descriptors
- corticosteroid hormone (CHEBI:34671)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 6E0A168OB8
- CAS number
- 56-47-3
- InChI Key
- VPGRYOFKCNULNK-ACXQXYJUSA-N
- InChI
- InChI=1S/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-20H,4-11,13H2,1-3H3/t17-,18-,19-,20+,22-,23-/m0/s1
- IUPAC Name
- 2-[(1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate
- SMILES
- [H][C@@]12CC[C@H](C(=O)COC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
References
- General References
- Not Available
- External Links
- KEGG Drug
- D03698
- KEGG Compound
- C14554
- ChemSpider
- 5737
- 258333
- ChEBI
- 34671
- ChEMBL
- CHEMBL1200542
- ZINC
- ZINC000004428527
- Wikipedia
- Desoxycorticosterone_acetate
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 0.00502 mg/mL ALOGPS logP 3.09 ALOGPS logP 3.77 Chemaxon logS -4.9 ALOGPS pKa (Strongest Acidic) 17.17 Chemaxon pKa (Strongest Basic) -4.8 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 60.44 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 103.56 m3·mol-1 Chemaxon Polarizability 42.13 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 208.5844935 predictedDarkChem Lite v0.1.0 [M-H]- 205.2474935 predictedDarkChem Lite v0.1.0 [M-H]- 182.6281 predictedDeepCCS 1.0 (2019) [M+H]+ 209.5424935 predictedDarkChem Lite v0.1.0 [M+H]+ 205.4436935 predictedDarkChem Lite v0.1.0 [M+H]+ 184.5235 predictedDeepCCS 1.0 (2019) [M+Na]+ 208.9994935 predictedDarkChem Lite v0.1.0 [M+Na]+ 205.1115935 predictedDarkChem Lite v0.1.0 [M+Na]+ 190.53403 predictedDeepCCS 1.0 (2019)
Targets
![](https://go.drugbank.com/assets/locked/DrugTargets2-682eb846d210ae4bf33ca03febccfb57bb1c61318e699b729e5df4dfab2c5b67.png)
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1. DetailsMineralocorticoid receptor
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Agonist
- General Function
- Zinc ion binding
- Specific Function
- Receptor for both mineralocorticoids (MC) such as aldosterone and glucocorticoids (GC) such as corticosterone or cortisol. Binds to mineralocorticoid response elements (MRE) and transactivates targ...
- Gene Name
- NR3C2
- Uniprot ID
- P08235
- Uniprot Name
- Mineralocorticoid receptor
- Molecular Weight
- 107066.575 Da
References
- Lu NZ, Wardell SE, Burnstein KL, Defranco D, Fuller PJ, Giguere V, Hochberg RB, McKay L, Renoir JM, Weigel NL, Wilson EM, McDonnell DP, Cidlowski JA: International Union of Pharmacology. LXV. The pharmacology and classification of the nuclear receptor superfamily: glucocorticoid, mineralocorticoid, progesterone, and androgen receptors. Pharmacol Rev. 2006 Dec;58(4):782-97. doi: 10.1124/pr.58.4.9. [Article]
Enzymes
1. DetailsCytochrome P450 3A4
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- No
- Actions
- Substrate
- General Function
- Vitamin d3 25-hydroxylase activity
- Specific Function
- Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It performs a variety of oxidation react...
- Gene Name
- CYP3A4
- Uniprot ID
- P08684
- Uniprot Name
- Cytochrome P450 3A4
- Molecular Weight
- 57342.67 Da
References
- Pelletier G. (2010). Progress in Brain Research. Elsevier.
Drug created at September 14, 2010 16:21 / Updated at February 21, 2021 18:52