SRX-246
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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
- SRX-246
- DrugBank Accession Number
- DB16968
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 703.884
Monoisotopic: 703.373369698 - Chemical Formula
- C42H49N5O5
- Synonyms
- .gamma.-oxo-.alpha.-((3s,4r)-2-oxo-3-((4s)-2-oxo-4-phenyl-3-oxazolidinyl)-4-((1e)-2-phenylethenyl)-1-azetidinyl)-n-((1r)-1-phenylethyl)-(.alpha.r)-(1,4'-bipiperidine)-1'-butanamide
- (.alpha.r)-.gamma.-oxo-.alpha.-((3s,4r)-2-oxo-3-((4s)-2-oxo-4-phenyl-3-oxazolidinyl)-4-((1e)-2-phenylethenyl)-1-azetidinyl)-n-((1r)-1-phenylethyl)(1,4'-bipiperidine)-1'-butanamide
- (1,4'-bipiperidine)-1'-butanamide, .gamma.-oxo-.alpha.-((3s,4r)-2-oxo-3-((4s)-2-oxo-4-phenyl-3-oxazolidinyl)-4-((1e)-2-phenylethenyl)-1-azetidinyl)-n-((1r)-1-phenylethyl)-, (.alpha.r)-
- External IDs
- API 246
- API-246
- API246
- SRX 246
- SRX246
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
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- 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.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 372X2P22UY
- CAS number
- 512784-93-9
- InChI Key
- FJUKOXWSIGULLE-JVOQCOEYSA-N
- InChI
- InChI=1S/C42H49N5O5/c1-30(32-16-8-3-9-17-32)43-40(49)36(28-38(48)45-26-22-34(23-27-45)44-24-12-5-13-25-44)46-35(21-20-31-14-6-2-7-15-31)39(41(46)50)47-37(29-52-42(47)51)33-18-10-4-11-19-33/h2-4,6-11,14-21,30,34-37,39H,5,12-13,22-29H2,1H3,(H,43,49)/b21-20+/t30-,35-,36-,37-,39+/m1/s1
- IUPAC Name
- (2R)-4-{[1,4'-bipiperidin]-1'-yl}-4-oxo-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(1E)-2-phenylethenyl]azetidin-1-yl]-N-[(1R)-1-phenylethyl]butanamide
- SMILES
- C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(CC1)N1CCCCC1)N1[C@H](\C=C\C2=CC=CC=C2)[C@H](N2[C@H](COC2=O)C2=CC=CC=C2)C1=O)C1=CC=CC=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 23290398
- BindingDB
- 50202920
- ChEMBL
- CHEMBL395817
- ZINC
- ZINC000028713464
- Wikipedia
- SRX246
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Huntington's Disease (HD) / Irritability 1 2 Terminated Treatment Post Traumatic Stress Disorder (PTSD) 1 1 Completed Not Available Healthy Volunteers (HV) 2 1 Completed Basic Science Anxiety Disorders / Fear / Healthy Volunteers (HV) 1 1 Unknown Status Treatment Anxiety / Fear 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.00282 mg/mL ALOGPS logP 5.22 ALOGPS logP 4.68 Chemaxon logS -5.4 ALOGPS pKa (Strongest Acidic) 13.57 Chemaxon pKa (Strongest Basic) 9.62 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 102.5 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 199.85 m3·mol-1 Chemaxon Polarizability 76.78 Å3 Chemaxon Number of Rings 7 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 15, 2022 16:10 / Updated at July 18, 2023 22:58