AQ-13 free base
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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
- AQ-13 free base
- DrugBank Accession Number
- DB17778
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 291.82
Monoisotopic: 291.1502254 - Chemical Formula
- C16H22ClN3
- Synonyms
- 1,3-propanediamine, n'-(7-chloro-4-quinolinyl)-n,n-diethyl-
- AQ-13 free base
- N'-(7-chloroquinolin-4-yl)-n,n-diethyl-propane-1,3-diamine
- External IDs
- RO-47-0543
- RO-470543
- SN-9584
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
- 4K7VT5621X
- CAS number
- 32571-49-6
- InChI Key
- NCPLTAGJJVCHOW-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H22ClN3/c1-3-20(4-2)11-5-9-18-15-8-10-19-16-12-13(17)6-7-14(15)16/h6-8,10,12H,3-5,9,11H2,1-2H3,(H,18,19)
- IUPAC Name
- 7-chloro-N-[3-(diethylamino)propyl]quinolin-4-amine
- SMILES
- CCN(CC)CCCNC1=CC=NC2=CC(Cl)=CC=C12
References
- General References
- Not Available
- External Links
- ChemSpider
- 3032656
- ChEMBL
- CHEMBL144037
- ZINC
- ZINC000001542123
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 logP 3 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 28.16 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 87.36 m3·mol-1 Chemaxon Polarizability 33.56 Å3 Chemaxon Number of Rings 2 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 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 10, 2023 17:48 / Updated at May 13, 2023 04:08