INO-1001
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- INO-1001
- DrugBank Accession Number
- DB05549
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 535.63
Monoisotopic: 535.144692634 - Chemical Formula
- C24H29N3O7S2
- Synonyms
- (9-(N-(3-Morpholinopropyl)-sulfonyl)-5,6-dihydro-5-oxo-11-H-indeno (1,2-C) isoquinoline methanesulfonic acid
- External IDs
- INO-1001
Pharmacology
- Indication
Investigated for use/treatment in brain cancer, cardiovascular disorders, and myocardial infarction.
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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 isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Isoquinolines and derivatives
- Sub Class
- Isoquinolones and derivatives
- Direct Parent
- Isoquinolones and derivatives
- Alternative Parents
- Pyridinones / Benzenoids / Morpholines / Organosulfonamides / Alkanesulfonic acids / Aminosulfonyl compounds / Heteroaromatic compounds / Methanesulfonates / Organosulfonic acids / Lactams show 6 more
- Substituents
- Alkanesulfonic acid / Amine / Aminosulfonyl compound / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Dialkyl ether / Ether / Heteroaromatic compound / Hydrocarbon derivative show 21 more
- Molecular Framework
- Not Available
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 55E08EN074
- CAS number
- 501364-91-6
- InChI Key
- ICMWGKNAXGUKQN-UHFFFAOYSA-N
- InChI
- InChI=1S/C23H25N3O4S.CH4O3S/c27-23-20-5-2-1-4-19(20)21-15-16-14-17(6-7-18(16)22(21)25-23)31(28,29)24-8-3-9-26-10-12-30-13-11-26;1-5(2,3)4/h1-2,4-7,14,24H,3,8-13,15H2,(H,25,27);1H3,(H,2,3,4)
- IUPAC Name
- N-[3-(morpholin-4-yl)propyl]-5-oxo-5H,6H,11H-indeno[1,2-c]isoquinoline-9-sulfonamide; methanesulfonic acid
- SMILES
- CS(O)(=O)=O.O=C1NC2=C(CC3=C2C=CC(=C3)S(=O)(=O)NCCCN2CCOCC2)C2=CC=CC=C12
References
- General References
- Not Available
- External Links
- ChemSpider
- 9447618
Clinical Trials
- Clinical Trials
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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 logP 1.22 Chemaxon pKa (Strongest Acidic) 10.1 Chemaxon pKa (Strongest Basic) 6.14 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 87.74 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 121.05 m3·mol-1 Chemaxon Polarizability 47.65 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No 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 November 18, 2007 18:25 / Updated at June 12, 2020 16:52