INO-1001

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

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.

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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 outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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
ChemSpider
9447618

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedPreventionAcute Myocardial Infarction (AMI)1
2TerminatedPreventionCardiovascular Disease (CVD) / Postoperative Complications1
1TerminatedTreatmentMelanoma1

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
PropertyValueSource
logP1.22Chemaxon
pKa (Strongest Acidic)10.1Chemaxon
pKa (Strongest Basic)6.14Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area87.74 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity121.05 m3·mol-1Chemaxon
Polarizability47.65 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
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