Daledalin
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Daledalin
- DrugBank Accession Number
- DB09189
- Background
Daledin (UK-3557-15) is a selective norepinephrine reuptake inhibitor. It has no effects on the reuptake of serotonin or dopamine, and no antihistamine or anticholinergic properties. It was in trials for depression in the 1970s but never marketed.
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 280.415
Monoisotopic: 280.193948781 - Chemical Formula
- C19H24N2
- Synonyms
- Daledalin
- External IDs
- UK-3557-15
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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as alkyldiarylamines. These are tertiary alkylarylamines having two aryl and one alkyl groups attached to the amino group.
- Kingdom
- Organic compounds
- Super Class
- Organic nitrogen compounds
- Class
- Organonitrogen compounds
- Sub Class
- Amines
- Direct Parent
- Alkyldiarylamines
- Alternative Parents
- Indoles and derivatives / Aniline and substituted anilines / Aralkylamines / Dialkylamines / Azacyclic compounds / Organopnictogen compounds / Hydrocarbon derivatives
- Substituents
- Alkyldiarylamine / Aniline or substituted anilines / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Hydrocarbon derivative / Indole or derivatives / Monocyclic benzene moiety / Organoheterocyclic compound
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- IT56261A5A
- CAS number
- 22136-27-2
- InChI Key
- YFAIJBZEDDOCAN-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H24N2/c1-19(13-8-14-20-2)15-21(16-9-4-3-5-10-16)18-12-7-6-11-17(18)19/h3-7,9-12,20H,8,13-15H2,1-2H3
- IUPAC Name
- methyl[3-(3-methyl-1-phenyl-2,3-dihydro-1H-indol-3-yl)propyl]amine
- SMILES
- [H]N(C)CCCC1(C)CN(C2=CC=CC=C12)C1=CC=CC=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 31707
- PubChem Substance
- 310265097
- ChemSpider
- 29403
- ChEMBL
- CHEMBL2110924
- Wikipedia
- Daledalin
Clinical Trials
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 0.0236 mg/mL ALOGPS logP 4.38 ALOGPS logP 4.2 Chemaxon logS -4.1 ALOGPS pKa (Strongest Basic) 10.54 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 15.27 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 89.18 m3·mol-1 Chemaxon Polarizability 33.97 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 splash10-0f89-0090000000-7aafa51fa859fb2e1241 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0090000000-0204404ccc763c7f25e0 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-5290000000-c1d33b177119c6a159e4 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0090000000-b3b1ef365ec1538859bf Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0a7i-1970000000-07d7b0245a8b19898746 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0036-5910000000-38ed4ade28c0497c9489 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]- 169.65862 predictedDeepCCS 1.0 (2019) [M+H]+ 172.01662 predictedDeepCCS 1.0 (2019) [M+Na]+ 178.1375 predictedDeepCCS 1.0 (2019)
Drug created at October 16, 2015 19:47 / Updated at February 21, 2021 18:52