NAV

Ivaltinostat

This drug entry is astuband has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Ivaltinostat
DrugBank Accession Number
DB17118
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
MOL SDF PDB SMILES InChI
Similar Structures
Weight
Average: 525.539
Monoisotopic: 525.224002129
Chemical Formula
C24H36N3O8P
Synonyms
  • (e)-n1-(3-(dimethylamino)propyl)-n8-hydroxy-2-((naphthalen-1-yloxy)methyl)oct-2-enediamide phosphate
  • 2-octenediamide n1 -(3 -(二甲胺基)propyl)-n8-hydroxy-2-((1-naphthalenyloxy)methyl)-, (2e)-, phosphate (1:1)
External IDs
  • CG-745

Pharmacology

Indication

Not Available

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
Avoid life-threatening adverse drug events
Improve clinical decision support with information oncontraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events & improve clinical decision support.
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.
Learn more
Improve decision support & research outcomes with our structured adverse effects data.
Learn more
Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRsBrowse all" title="" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug InteractionsLearn More" title="" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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

Products

Drug product information from 10+ global regions
Our datasets provide approved product information including:
dosage, form, labeller, route of administration, and marketing period.
Access now
Access drug product information from over 10 global regions.
Access now
Product Ingredients
Ingredient UNII CAS InChI Key
Ivaltinostat phosphate Not Available Not Available Not applicable

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
QA3Y8EZG57
中科院νmber
2173017-02-0
InChI Key
UOKSXAOZBSWROR-DOELHFPHSA-N
InChI
InChI=1S/C24H33N3O4.H3O4P/c1-27(2)17-9-16-25-24(29)20(11-4-3-5-15-23(28)26-30)18-31-22-14-8-12-19-10-6-7-13-21(19)22;1-5(2,3)4/h6-8,10-14,30H,3-5,9,15-18H2,1-2H3,(H,25,29)(H,26,28);(H3,1,2,3,4)/b20-11+;
IUPAC Name
(2E)-N-[3-(dimethylamino)propyl]-N'-hydroxy-2-[(naphthalen-1-yloxy)methyl]oct-2-enediamide; phosphoric acid
SMILES
OP(O)(O)=O.CN(C)CCCNC(=O)C(\COC1=C2C=CC=CC2=CC=C1)=C\CCCCC(=O)NO

References

General References
Not Available
Not Available

Clinical Trials

Clinical TrialsLearn More" title="" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count
1 Completed Treatment Healthy Subjects (HS) 1
1 Not Yet Recruiting Treatment Fibrosis/Hematological Malignancy/Solid Tumors 1
1, 2 Recruiting Treatment Pancreatic Adenocarcinoma Metastatic 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
Water Solubility 0.00493 mg/mL ALOGPS
logP 3.87 ALOGPS
logP 1.71 Chemaxon
logS -4.9 ALOGPS
pKa (Strongest Acidic) 8.76 Chemaxon
pKa (Strongest Basic) 9.45 Chemaxon
Physiological Charge 1 Chemaxon
Hydrogen Acceptor Count 5 Chemaxon
Hydrogen Donor Count 3 Chemaxon
Polar Surface Area 90.9 Å2 Chemaxon
Rotatable Bond Count 13 Chemaxon
Refractivity 123.07 m3·mol-1 Chemaxon
Polarizability 48.93 Å3 Chemaxon
Number of Rings 2 Chemaxon
Bioavailability 0 Chemaxon
Rule of Five No Chemaxon
Ghose Filter No Chemaxon
Veber's Rule No Chemaxon
MDDR-like Rule No Chemaxon
预测ADMET特性
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created at November 16, 2022 21:48 / Updated at December 13, 2022 10:46