This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Dasotraline
- DrugBank Accession Number
- DB12305
- Background
Dasotraline is a serotonin, norepinephrine and dopamine reuptake inhibitor (SNDRI) that is under investigation for the treatment of Binge Eating Disorder, Adult Attention Hyperactivity Disorder, Attention Deficit Hyperactivity Disorder, and Adult Attention Deficit Hyperactivity Disorder.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Dasotraline (DB12305)
- Weight
- Average: 292.2
Monoisotopic: 291.0581549 - Chemical Formula
- C16H15Cl2N
- Synonyms
- Dasotraline
- External IDs
- SEP-225289
Pharmacology
- Indication
Not Available
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Not Available
- Mechanism of action
Dasotraline has been shown in preclinical studies to be a potent and balanced reuptake inhibitor of serotonin, norepinephrine and dopamine (SNDRI). Serotonin, norepinephrine and dopamine are neurotransmitters associated with depression. There are currently no marketed treatments for depression that inhibit reuptake of all three neurotransmitters.
Target Actions Organism USodium-dependent dopamine transporter Not Available Humans USodium-dependent serotonin transporter Not Available Humans USodium-dependent noradrenaline transporter Not Available Humans - 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.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
Products
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Ingredient UNII CAS InChI Key Dasotraline Hydrochloride 1VIY7J4C0I 675126-08-6 YKXHIERZIRLOLD-DFIJPDEKSA-N
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Tetralins
- Sub Class
- Not Available
- Direct Parent
- Tetralins
- Alternative Parents
- Dichlorobenzenes / Aralkylamines / Aryl chlorides / Organochlorides / Monoalkylamines / Hydrocarbon derivatives
- Substituents
- 1,2-dichlorobenzene / Amine / Aralkylamine / Aromatic homopolycyclic compound / Aryl chloride / Aryl halide / Chlorobenzene / Halobenzene / Hydrocarbon derivative / Monocyclic benzene moiety
- Molecular Framework
- Aromatic homopolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 4D28EY0L5T
- CAS number
- 675126-05-3
- InChI Key
- SRPXSILJHWNFMK-MEDUHNTESA-N
- InChI
- InChI=1S/C16H15Cl2N/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11,16H,6,8,19H2/t11-,16+/m0/s1
- IUPAC Name
- (1R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
- SMILES
- N[C@@H]1CC[C@@H](C2=CC=C(Cl)C(Cl)=C2)C2=CC=CC=C12
References
- General References
- Not Available
- External Links
- PubChem Compound
- 9947999
- PubChem Substance
- 347828570
- ChemSpider
- 8123611
- ChEMBL
- CHEMBL3301595
- ZINC
- ZINC000002510873
- Wikipedia
- Dasotraline
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Adult Attention Deficit Hyperactivity Disorder (ADHD) 2 3 Completed Treatment Attention Deficit Hyperactivity Disorder (ADHD) 3 3 Completed Treatment Binge Eating Disorder (BED) 2 2 Completed Treatment Adult Attention Deficit Hyperactivity Disorder (ADHD) 1 2 Completed Treatment Major Depressive Disorder (MDD) 1 2, 3 Completed Treatment Attention Deficit Hyperactivity Disorder (ADHD) 1 2, 3 Completed Treatment Binge Eating Disorder (BED) 1 1 Completed Treatment Attention Deficit Hyperactivity Disorder (ADHD) / Binge Eating Disorder (BED) 1 1 Completed Treatment Pediatric Attention Deficit Hyperactivity Disorder 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 9.79e-05 mg/mL ALOGPS logP 4.92 ALOGPS logP 4.72 Chemaxon logS -6.5 ALOGPS pKa (Strongest Basic) 9.52 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 26.02 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 80.97 m3·mol-1 Chemaxon Polarizability 30.28 Å3 Chemaxon Number of Rings 3 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
- 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 Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Monoamine transmembrane transporter activity
- Specific Function
- Amine transporter. Terminates the action of dopamine by its high affinity sodium-dependent reuptake into presynaptic terminals.
- Gene Name
- SLC6A3
- Uniprot ID
- Q01959
- Uniprot Name
- Sodium-dependent dopamine transporter
- Molecular Weight
- 68494.255 Da
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Serotonin:sodium symporter activity
- Specific Function
- Serotonin transporter whose primary function in the central nervous system involves the regulation of serotonergic signaling via transport of serotonin molecules from the synaptic cleft back into t...
- Gene Name
- SLC6A4
- Uniprot ID
- P31645
- Uniprot Name
- Sodium-dependent serotonin transporter
- Molecular Weight
- 70324.165 Da
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Norepinephrine:sodium symporter activity
- Specific Function
- Amine transporter. Terminates the action of noradrenaline by its high affinity sodium-dependent reuptake into presynaptic terminals.
- Gene Name
- SLC6A2
- Uniprot ID
- P23975
- Uniprot Name
- Sodium-dependent noradrenaline transporter
- Molecular Weight
- 69331.42 Da
Drug created at October 20, 2016 21:52 / Updated at February 21, 2021 18:53