S-Apomorphine
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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
- S-Apomorphine
- DrugBank Accession Number
- DB16927
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 267.328
Monoisotopic: 267.125928791 - Chemical Formula
- C17H17NO2
- Synonyms
- (+)-10,11-Dihydroxyaporphine
- (6as)-5,6,6a,7-tetrahydro-6-methyl-4h-dibenzo(de,g)quinoline-10,11-diol
- 4h-dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, (6as)-
- Apomorphine, s-
- S-(+)-apomorphine
- S-[+]-apomorphine
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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- LH812IV7LI
- CAS number
- 39478-62-1
- InChI Key
- VMWNQDUVQKEIOC-ZDUSSCGKSA-N
- InChI
- InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m0/s1
- IUPAC Name
- (9S)-10-methyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2(7),3,5,13,15-hexaene-3,4-diol
- SMILES
- [H][C@]12CC3=C(C(O)=C(O)C=C3)C3=C1C(CCN2C)=CC=C3
References
- General References
- Not Available
- External Links
- ChemSpider
- 643223
- BindingDB
- 29643
- ChEMBL
- CHEMBL416288
- ZINC
- ZINC000000155525
- PDBe Ligand
- 5RL
- PDB Entries
- 5er4
Clinical Trials
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 0.51 mg/mL ALOGPS logP 2.51 ALOGPS logP 2.88 Chemaxon logS -2.7 ALOGPS pKa (Strongest Acidic) 9.26 Chemaxon pKa (Strongest Basic) 7.72 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 43.7 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 79.99 m3·mol-1 Chemaxon Polarizability 29.54 Å3 Chemaxon Number of Rings 4 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 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 September 13, 2022 16:43 / Updated at July 18, 2023 22:58