ORG-34517
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- ORG-34517
- DrugBank Accession Number
- DB05423
- Background
ORG-34517 is currently under investigation by Organon for the treatment of depression. It has potential to treat a number of diseases such as Cushing’s disease, hypertension, diabetes, glaucoma etc, in which the activity of metabolites corticosterone and cortisol is high.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 430.544
Monoisotopic: 430.214409446 - Chemical Formula
- C28H30O4
- Synonyms
- Not Available
- External IDs
- ORG 34517
- ORG-34517
- ORG34517
Pharmacology
- Indication
Investigated for use/treatment in depression.
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- Pharmacodynamics
Not Available
- Mechanism of action
Org-34517 is a glucocorticoid antagonist which may have a potential in a number of diseases where there is excess corticosterone/cortisol activity. The drug acts by normalizing hyperactivity in the hypothalamus-pituitary-adrenal (HPA) axis.
Target Actions Organism AGlucocorticoid receptor antagonistHumans - 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 oxosteroids. These are steroid derivatives carrying a C=O group attached to steroid skeleton.
- Kingdom
- Organic compounds
- Super Class
- Lipids and lipid-like molecules
- Class
- Steroids and steroid derivatives
- Sub Class
- Oxosteroids
- Direct Parent
- Oxosteroids
- Alternative Parents
- 3-oxosteroids / 17-hydroxysteroids / Benzodioxoles / Cyclohexenones / Ynones / Benzenoids / Tertiary alcohols / Cyclic alcohols and derivatives / Oxacyclic compounds / Acetals show 2 more
- Substituents
- 17-hydroxysteroid / 3-oxosteroid / Acetal / Alcohol / Aromatic heteropolycyclic compound / Benzenoid / Benzodioxole / Carbonyl group / Cyclic alcohol / Cyclic ketone show 12 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 17VAN37K4Y
- CAS number
- 189035-07-2
- InChI Key
- DFELGYQKEOCHOA-BZAFBGKRSA-N
- InChI
- InChI=1S/C28H30O4/c1-3-11-28(30)12-10-23-21-7-4-17-13-19(29)6-8-20(17)26(21)22(15-27(23,28)2)18-5-9-24-25(14-18)32-16-31-24/h5,9,13-14,21-23,30H,4,6-8,10,12,15-16H2,1-2H3/t21-,22+,23-,27-,28-/m0/s1
- IUPAC Name
- (1S,3aS,3bS,10R,11aS)-10-(2H-1,3-benzodioxol-5-yl)-1-hydroxy-11a-methyl-1-(prop-1-yn-1-yl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
- SMILES
- [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C1=CC=C3OCOC3=C1)C1=C3CCC(=O)C=C3CC[C@@]21[H]
References
- General References
- Johnson DA, Grant EJ, Ingram CD, Gartside SE: Glucocorticoid receptor antagonists hasten and augment neurochemical responses to a selective serotonin reuptake inhibitor antidepressant. Biol Psychiatry. 2007 Dec 1;62(11):1228-35. Epub 2007 Jul 25. [Article]
- Bilang-Bleuel A, Ulbricht S, Chandramohan Y, De Carli S, Droste SK, Reul JM: Psychological stress increases histone H3 phosphorylation in adult dentate gyrus granule neurons: involvement in a glucocorticoid receptor-dependent behavioural response. Eur J Neurosci. 2005 Oct;22(7):1691-700. [Article]
- External Links
- PubChem Compound
- 9867361
- PubChem Substance
- 347827730
- ChemSpider
- 8043052
- ZINC
- ZINC000003951570
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 data2 Completed Treatment Depression / Depressive Disorder / Psychosis 2 somestatus stop reason just information to hide 2 Completed Treatment Major Depressive Disorder (MDD) / Psychosis 1 somestatus stop reason just information to hide 1 Completed Other Alcohol Dependency / Interaction with alcohol 1 somestatus stop reason just information to hide 1 Completed Treatment Potential Treatment for Alcohol Dependence-Alcohol Interaction 1 somestatus stop reason just information to hide
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 0.00337 mg/mL ALOGPS logP 4.56 ALOGPS logP 4.65 Chemaxon logS -5.1 ALOGPS pKa (Strongest Acidic) 12.87 Chemaxon pKa (Strongest Basic) -3.7 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 55.76 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 123.92 m3·mol-1 Chemaxon Polarizability 48.36 Å3 Chemaxon Number of Rings 6 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
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-0000900000-bf7a9b2c4e5827b8c027 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0001900000-f93ebe41f94dbb8b4620 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-000w-0469500000-2723090bf873ca77e983 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0003900000-8f4c1df1fa790029d9dd Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-01p2-0009500000-bab7a6c1c5e08a9f9798 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-001a-0964300000-523cd2a9b69b7b99044b 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]- 202.76897 predictedDeepCCS 1.0 (2019) [M+H]+ 205.16454 predictedDeepCCS 1.0 (2019) [M+Na]+ 211.09602 predictedDeepCCS 1.0 (2019)
Targets
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Antagonist
- General Function
- Receptor for glucocorticoids (GC) (PubMed:27120390, PubMed:37478846). Has a dual mode of action: as a transcription factor that binds to glucocorticoid response elements (GRE), both for nuclear and mitochondrial DNA, and as a modulator of other transcription factors (PubMed:28139699). Affects inflammatory responses, cellular proliferation and differentiation in target tissues. Involved in chromatin remodeling (PubMed:9590696). Plays a role in rapid mRNA degradation by binding to the 5' UTR of target mRNAs and interacting with PNRC2 in a ligand-dependent manner which recruits the RNA helicase UPF1 and the mRNA-decapping enzyme DCP1A, leading to RNA decay (PubMed:25775514). Could act as a coactivator for STAT5-dependent transcription upon growth hormone (GH) stimulation and could reveal an essential role of hepatic GR in the control of body growth (By similarity)
- Specific Function
- core promoter sequence-specific DNA binding
- Gene Name
- NR3C1
- Uniprot ID
- P04150
- Uniprot Name
- Glucocorticoid receptor
- Molecular Weight
- 85658.57 Da
References
- 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 November 18, 2007 18:24 / Updated at August 26, 2024 19:23