Tegavivint
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Identification
- Generic Name
- Tegavivint
- DrugBank Accession Number
- DB17109
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- 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
Pharmacology
- Indication
Not Available
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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
- 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
- External Links
- Not Available
Clinical Trials
- Clinical Trials
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 0.0201 mg/mL ALOGPS logP 2.97 ALOGPS logP 4.21 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 3.31 Chemaxon pKa (Strongest Basic) -3.1 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 139.94 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 154.87 m3·mol-1 Chemaxon Polarizability 63.29 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 15, 2022 16:25 / Updated at December 01, 2022 11:35