QN-302
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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
- QN-302
- DrugBank Accession Number
- DB18156
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 791.994
Monoisotopic: 791.437032583 - Chemical Formula
- C45H57N7O6
- Synonyms
- 2,7-bis(3-morpholinopropyl)-4-((2-(pyrrolidin-1-yl)ethyl)amino)-9-(4-(pyrrolidin-1-ylmethyl)phenyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone
- External IDs
- QN 302
- QN-302
- QN302
- SOP 1812
- SOP-1812
- SOP1812
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
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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
- 86Y5JME9KT
- CAS number
- 2546091-70-5
- InChI Key
- JQXVCGMANURRRW-UHFFFAOYSA-N
- InChI
- InChI=1S/C45H57N7O6/c53-42-35-29-34(33-9-7-32(8-10-33)31-50-14-3-4-15-50)40-38-36(43(54)51(44(40)55)18-5-16-48-21-25-57-26-22-48)30-37(46-11-20-47-12-1-2-13-47)41(39(35)38)45(56)52(42)19-6-17-49-23-27-58-28-24-49/h7-10,29-30,46H,1-6,11-28,31H2
- IUPAC Name
- 6,13-bis[3-(morpholin-4-yl)propyl]-2-{[2-(pyrrolidin-1-yl)ethyl]amino}-9-{4-[(pyrrolidin-1-yl)methyl]phenyl}-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone
- SMILES
- O=C1N(CCCN2CCOCC2)C(=O)C2=C3C1=CC(NCCN1CCCC1)=C1C(=O)N(CCCN4CCOCC4)C(=O)C(C=C2C2=CC=C(CN4CCCC4)C=C2)=C31
References
- General References
- Not Available
- External Links
- ChemSpider
- 123963087
- ChEMBL
- CHEMBL4640542
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Recruiting Treatment Solid Tumors 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 logP 3.11 Chemaxon pKa (Strongest Acidic) 17.77 Chemaxon pKa (Strongest Basic) 9.58 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 11 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 118.21 Å2 Chemaxon Rotatable Bond Count 15 Chemaxon Refractivity 229.71 m3·mol-1 Chemaxon Polarizability 91.07 Å3 Chemaxon Number of Rings 9 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 12, 2023 23:39 / Updated at September 15, 2023 10:38