Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Clostebol
- DrugBank Accession Number
- DB01521
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental, Illicit
- Structure
Structure for Clostebol (DB01521)
- Weight
- Average: 322.869
Monoisotopic: 322.169957815 - Chemical Formula
- C19H27ClO2
- Synonyms
- Clostebol
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
- Not Available
- 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 softwareBeclomethasone dipropionate The risk or severity of edema formation can be increased when Clostebol is combined with Beclomethasone dipropionate. Betamethasone The risk or severity of edema formation can be increased when Clostebol is combined with Betamethasone. Betamethasone phosphate The risk or severity of edema formation can be increased when Clostebol is combined with Betamethasone phosphate. Budesonide The risk or severity of edema formation can be increased when Clostebol is combined with Budesonide. Ciclesonide The risk or severity of edema formation can be increased when Clostebol is combined with Ciclesonide. - 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
- Halogenated steroids / 3-oxo delta-4-steroids / 17-hydroxysteroids / Delta-4-steroids / Cyclohexenones / Alpha-chloroketones / Secondary alcohols / Cyclic alcohols and derivatives / Vinyl chlorides / Chloroalkenes show 3 more
- Substituents
- 17-hydroxysteroid / 3-oxo-delta-4-steroid / 3-oxosteroid / 4-halo-steroid / Alcohol / Aliphatic homopolycyclic compound / Alpha-chloroketone / Alpha-haloketone / Androgen-skeleton / Carbonyl group show 19 more
- Molecular Framework
- Aliphatic homopolycyclic compounds
- External Descriptors
- C19 steroids (androgens) and derivatives (LMST02020019)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Z7D4G976SH
- CAS number
- 1093-58-9
- InChI Key
- KCZCIYZKSLLNNH-FBPKJDBXSA-N
- InChI
- InChI=1S/C19H27ClO2/c1-18-10-8-15(21)17(20)14(18)4-3-11-12-5-6-16(22)19(12,2)9-7-13(11)18/h11-13,16,22H,3-10H2,1-2H3/t11-,12-,13-,16-,18+,19-/m0/s1
- IUPAC Name
- (1S,3aS,3bR,9aR,9bS,11aS)-6-chloro-1-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,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])CCC2=C(Cl)C(=O)CC[C@]12C
References
- General References
- Not Available
- External Links
- KEGG Drug
- D07731
- PubChem Compound
- 68947
- PubChem Substance
- 46505505
- ChemSpider
- 62171
- 61686
- ChEBI
- 135372
- ChEMBL
- CHEMBL2106571
- ZINC
- ZINC000004025021
- Wikipedia
- Clostebol
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
Property Value Source melting point (°C) 189 °C PhysProp - Predicted Properties
Property Value Source Water Solubility 0.0153 mg/mL ALOGPS logP 3.57 ALOGPS logP 3.75 Chemaxon logS -4.3 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 89.22 m3·mol-1 Chemaxon Polarizability 36.02 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 + 0.9754 Caco-2 permeable + 0.828 P-glycoprotein substrate Substrate 0.6367 P-glycoprotein inhibitor I Non-inhibitor 0.6429 P-glycoprotein inhibitor II Non-inhibitor 0.9333 Renal organic cation transporter Non-inhibitor 0.7453 CYP450 2C9 substrate Non-substrate 0.8222 CYP450 2D6 substrate Non-substrate 0.8968 CYP450 3A4 substrate Substrate 0.7867 CYP450 1A2 substrate Non-inhibitor 0.8944 CYP450 2C9 inhibitor Non-inhibitor 0.8654 CYP450 2D6 inhibitor Non-inhibitor 0.8922 CYP450 2C19 inhibitor Non-inhibitor 0.7617 CYP450 3A4 inhibitor Non-inhibitor 0.8467 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.8156 Ames test Non AMES toxic 0.889 Carcinogenicity Non-carcinogens 0.9243 Biodegradation Not ready biodegradable 0.989 Rat acute toxicity 1.7601 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.8594 hERG inhibition (predictor II) Non-inhibitor 0.6749
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-05fr-0009000000-90f6168d669679ec5cae Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-00di-0009000000-330c102ce2374d627baf Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9002000000-934171e24c12dbce7f2a Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0ab9-2659000000-4c20499692e615af3aaf Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0089-9025000000-25c37bc12f19aab1452d Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-054k-1920000000-3452b353fb52bea87a83 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]- 175.50714 predictedDeepCCS 1.0 (2019) [M+H]+ 177.54385 predictedDeepCCS 1.0 (2019) [M+Na]+ 183.45638 predictedDeepCCS 1.0 (2019)
Drug created at July 31, 2007 13:10 / Updated at February 21, 2021 18:51