Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- 1-Testosterone
- DrugBank Accession Number
- DB01481
- Background
1-Testosterone is an anabolic steroid that differs from testosterone by having a 1,2-double bond instead of 4,5-double bond in its A ring.
- Type
- Small Molecule
- Groups
- Experimental, Illicit, Investigational
- Structure
Structure for 1-Testosterone (DB01481)
- Weight
- Average: 288.4244
Monoisotopic: 288.20893014 - Chemical Formula
- C19H28O2
- Synonyms
- 1-T
- 1-Testo
- 17beta-hydroxy-5alpha-androst-1-en-3-one
- Androstendolone
- delta1-Dihydrotestosterone
- External IDs
- J108.132B
Pharmacology
- Indication
Not Available
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Delta1-dihydrotestosterone binds to the androgen receptor, a nuclear receptor which binds the androgenic hormones testosterone and dihydrotestosterone. Once bound, the receptor/ligand complex localizes to the nucleus and acts as a DNA binding transcription factor, regulating gene expression. In animals, Delta1-dihydrotestosterone stimulates the growth of the prostate as well as the seminal vesicles.
- Mechanism of action
Delta1-dihydrotestosterone binds to the androgen receptor, a nuclear receptor which binds the androgenic hormones testosterone and dihydrotestosterone. Once bound, the receptor/ligand complex localizes to the nucleus and acts as a DNA binding transcription factor, regulating gene expression.
Target Actions Organism AAndrogen 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
- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAbciximab 1-Testosterone may increase the anticoagulant activities of Abciximab. Acenocoumarol 1-Testosterone may increase the anticoagulant activities of Acenocoumarol. Alteplase 1-Testosterone may increase the anticoagulant activities of Alteplase. Ancrod 1-Testosterone may increase the anticoagulant activities of Ancrod. Anistreplase 1-Testosterone may increase the anticoagulant activities of Anistreplase. - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.
- Kingdom
- Organic compounds
- Super Class
- Lipids and lipid-like molecules
- Class
- Steroids and steroid derivatives
- Sub Class
- Androstane steroids
- Direct Parent
- Androgens and derivatives
- Alternative Parents
- 3-oxo-5-alpha-steroids / 3-oxo delta-1-steroids / 17-hydroxysteroids / Delta-1-steroids / Cyclohexenones / Secondary alcohols / Cyclic alcohols and derivatives / Organic oxides / Hydrocarbon derivatives
- Substituents
- 17-hydroxysteroid / 3-oxo-5-alpha-steroid / 3-oxo-delta-1-steroid / 3-oxosteroid / Alcohol / Aliphatic homopolycyclic compound / Androgen-skeleton / Carbonyl group / Cyclic alcohol / Cyclic ketone
- Molecular Framework
- Aliphatic homopolycyclic compounds
- External Descriptors
- 17beta-hydroxy steroid, 3-oxo Delta(1)-steroid, anabolic androgenic steroid (CHEBI:59714)
- Affected organisms
- Humans and other mammals
Chemical Identifiers
- UNII
- Y984BV1Q0G
- CAS number
- 65-06-5
- InChI Key
- OKJCFMUGMSVJBG-ABEVXSGRSA-N
- InChI
- InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,12,14-17,21H,3-6,8,10-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
- IUPAC Name
- (1S,3aS,3bR,5aS,9aR,9bS,11aS)-1-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
- SMILES
- [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)C=C[C@]12C
References
- General References
- Friedel A, Geyer H, Kamber M, Laudenbach-Leschowsky U, Schanzer W, Thevis M, Vollmer G, Zierau O, Diel P: 17beta-hydroxy-5alpha-androst-1-en-3-one (1-testosterone) is a potent androgen with anabolic properties. Toxicol Lett. 2006 Aug 20;165(2):149-55. Epub 2006 Apr 18. [Article]
- External Links
- KEGG Compound
- C15377
- PubChem Compound
- 236666
- PubChem Substance
- 46507716
- ChemSpider
- 206590
- ChEBI
- 59714
- ZINC
- ZINC000004791927
- Wikipedia
- 1-Testosterone
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
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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 0.0128 mg/mL ALOGPS logP 3.38 ALOGPS logP 3.41 Chemaxon logS -4.4 ALOGPS pKa (Strongest Acidic) 19.38 Chemaxon pKa (Strongest Basic) -0.88 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 37.3 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 84.7 m3·mol-1 Chemaxon Polarizability 33.91 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 1.0 Blood Brain Barrier + 0.9835 Caco-2 permeable + 0.8943 P-glycoprotein substrate Substrate 0.6036 P-glycoprotein inhibitor I Non-inhibitor 0.5133 P-glycoprotein inhibitor II Non-inhibitor 0.8114 Renal organic cation transporter Non-inhibitor 0.791 CYP450 2C9 substrate Non-substrate 0.7459 CYP450 2D6 substrate Non-substrate 0.9292 CYP450 3A4 substrate Substrate 0.7431 CYP450 1A2 substrate Non-inhibitor 0.7338 CYP450 2C9 inhibitor Non-inhibitor 0.9397 CYP450 2D6 inhibitor Non-inhibitor 0.9672 CYP450 2C19 inhibitor Non-inhibitor 0.8086 CYP450 3A4 inhibitor Non-inhibitor 0.8474 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.933 Ames test Non AMES toxic 0.9268 Carcinogenicity Non-carcinogens 0.9287 Biodegradation Not ready biodegradable 0.983 Rat acute toxicity 2.0714 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9314 hERG inhibition (predictor II) Non-inhibitor 0.6661
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0079-0190000000-a2af4a0876d31c7e4047 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0090000000-31a76c05f2418b517823 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0090000000-7fa9c41d55896347a274 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-1970000000-22fcc74b128fd4b5584a Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0290000000-6dee4673151b34a0d532 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-2900000000-1c44c3eafa396cbefb02 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 176.2764819 predictedDarkChem Lite v0.1.0 [M-H]- 174.21674 predictedDeepCCS 1.0 (2019) [M+H]+ 176.7021819 predictedDarkChem Lite v0.1.0 [M+H]+ 176.11214 predictedDeepCCS 1.0 (2019) [M+Na]+ 176.2320819 predictedDarkChem Lite v0.1.0 [M+Na]+ 182.09238 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Agonist
- General Function
- Steroid hormone receptors are ligand-activated transcription factors that regulate eukaryotic gene expression and affect cellular proliferation and differentiation in target tissues (PubMed:19022849). Transcription factor activity is modulated by bound coactivator and corepressor proteins like ZBTB7A that recruits NCOR1 and NCOR2 to the androgen response elements/ARE on target genes, negatively regulating androgen receptor signaling and androgen-induced cell proliferation (PubMed:20812024). Transcription activation is also down-regulated by NR0B2. Activated, but not phosphorylated, by HIPK3 and ZIPK/DAPK3
- Specific Function
- androgen binding
- Gene Name
- AR
- Uniprot ID
- P10275
- Uniprot Name
- Androgen receptor
- Molecular Weight
- 99187.115 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]
- Friedel A, Geyer H, Kamber M, Laudenbach-Leschowsky U, Schanzer W, Thevis M, Vollmer G, Zierau O, Diel P: 17beta-hydroxy-5alpha-androst-1-en-3-one (1-testosterone) is a potent androgen with anabolic properties. Toxicol Lett. 2006 Aug 20;165(2):149-55. Epub 2006 Apr 18. [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]
Drug created at July 31, 2007 13:09 / Updated at June 12, 2020 16:51