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Tegavivint

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Data Packages
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Identification

Generic Name
Tegavivint
DrugBank Accession Number
DB17109
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 588.74
Monoisotopic: 588.207627243
Chemical Formula
C28H36N4O6S2
Synonyms
  • 9,10-anthracenedione, 2,7-bis(((3r,5s)-3,5-dimethyl-1-piperidinyl)sulfonyl)-, 9,10-dioxime, rel-
  • Tegavivint
External IDs
  • BC-2059
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Pharmacology

Indication

Not Available

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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
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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
18AP231HUP
CAS number
1227637-23-1
InChI Key
GAPRVZKWPDRAJA-TVRZPQSBSA-N
InChI
InChI=1S/C28H36N4O6S2/c1-17-9-18(2)14-31(13-17)39(35,36)21-5-7-23-25(11-21)28(30-34)26-12-22(6-8-24(26)27(23)29-33)40(37,38)32-15-19(3)10-20(4)16-32/h5-8,11-12,17-20,33-34H,9-10,13-16H2,1-4H3/b29-27-,30-28+/t17-,18+,19-,20+
IUPAC Name
N-[2,7-bis({[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl})-10-(hydroxyimino)-9,10-dihydroanthracen-9-ylidene]hydroxylamine
SMILES
C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)C1=CC=C2C(=C1)C(=NO)C1=CC(=CC=C1C2=NO)S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1

References

General References
Not Available
Not Available

Clinical Trials

Clinical Trials
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PhaseStatusPurposeConditionsCountStart DateWhy Stopped100+ additional columns
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1Active Not RecruitingTreatmentRecurrent Leukaemia / Refractory Leukemia1somestatusstop reasonjust information to hide
1CompletedTreatmentDesmoid Tumor1somestatusstop reasonjust information to hide
1RecruitingTreatmentMetastatic Non-Small Cell Lung Cancer / Stage IV Lung Cancer AJCC v8 / Stage IVA Lung Cancer AJCC v8 / Stage IVB Lung Cancer AJCC v81somestatusstop reasonjust information to hide
1RecruitingTreatmentRecurrent Diffuse Large B-Cell Lymphoma Activated B-Cell Type / Recurrent Diffuse Large B-Cell Lymphoma Germinal Center B-Cell Type / Recurrent High Grade B-Cell Lymphoma With MYC, BCL2, and BCL6 Rearrangements / Refractory Diffuse Large B-Cell Lymphoma Activated B-Cell Type / Refractory Diffuse Large B-Cell Lymphoma Germinal Center B-Cell Type / Refractory High Grade B-Cell Lymphoma With MYC, BCL2, and BCL6 Rearrangements / Transformed Indolent B-Cell Non-Hodgkin Lymphoma to Diffuse Large B-Cell Lymphoma1somestatusstop reasonjust information to hide
1, 2RecruitingTreatmentAdvanced Hepatocellular Carcinoma (HCC)1somestatusstop reasonjust information to hide

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
PropertyValueSource
Water Solubility0.0201 mg/mLALOGPS
logP2.97ALOGPS
logP4.21Chemaxon
logS-4.5ALOGPS
pKa (Strongest Acidic)3.31Chemaxon
pKa (Strongest Basic)-3.1Chemaxon
Physiological Charge-2Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area139.94 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity154.87 m3·mol-1Chemaxon
Polarizability63.29 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 15, 2022 16:25 / Updated at December 01, 2022 11:35