Methylsamidorphan
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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
- Methylsamidorphan
- DrugBank Accession Number
- DB15241
- Background
Methylsamidorphan is under investigation in clinical trial NCT01418092 (ALK37-007: Evaluation of Safety and Efficacy of ALKS 37 (RDC-1036) in Adults With Opioid-induced Constipation (OIC)).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 385.483
Monoisotopic: 385.212183842 - Chemical Formula
- C22H29N2O4
- Synonyms
- Methylsamidorphan
- External IDs
- ALKS 37
Pharmacology
- Indication
Not Available
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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
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Phenanthrenes and derivatives
- Sub Class
- Not Available
- Direct Parent
- Phenanthrenes and derivatives
- Alternative Parents
- Naphthalenecarboxamides / Benzazocines / Isoquinolones and derivatives / Tetralins / Salicylic acid and derivatives / 1-hydroxy-4-unsubstituted benzenoids / Aralkylamines / Piperidines / Vinylogous acids / Tetraalkylammonium salts show 11 more
- Substituents
- 1,2-aminoalcohol / 1-hydroxy-4-unsubstituted benzenoid / 2-naphthalenecarboxamide / 2-naphthalenecarboxylic acid or derivatives / Alcohol / Amine / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Benzazocine show 26 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 8347HC35J6
- CAS number
- 1119361-12-4
- InChI Key
- ATCVVCBJNHXIEX-ZAHKBLQYSA-O
- InChI
- InChI=1S/C22H28N2O4/c1-24(12-13-2-3-13)9-8-21-11-15(25)6-7-22(21,28)17(24)10-14-4-5-16(20(23)27)19(26)18(14)21/h4-5,13,17,28H,2-3,6-12H2,1H3,(H2-,23,26,27)/p+1/t17-,21-,22-,24-/m1/s1
- IUPAC Name
- (1R,9R,10S,17R)-4-carbamoyl-17-(cyclopropylmethyl)-3,10-dihydroxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-trien-17-ium
- SMILES
- C[N@+]1(CC2CC2)CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1CC1=C3C(O)=C(C=C1)C(N)=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 29398957
- ChEMBL
- CHEMBL2364619
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment OIC 1 2 Completed Treatment Opioid Induced Constipation (OIC) 2
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 0.00391 mg/mL ALOGPS logP 0.16 ALOGPS logP -2.6 Chemaxon logS -5 ALOGPS pKa (Strongest Acidic) 7.94 Chemaxon pKa (Strongest Basic) -0.89 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 100.62 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 116.95 m3·mol-1 Chemaxon Polarizability 41.48 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No 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 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 20, 2019 15:03 / Updated at February 21, 2021 18:55