Zalypsis
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Zalypsis
- DrugBank Accession Number
- DB12454
- Background
Zalypsis has been used in trials studying the treatment of Lymphoma, Solid Tumors, Ewing's Sarcoma, Endometrial Cancer, and Uterine Cervical Cancer, among others.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 709.719
Monoisotopic: 709.261099685 - Chemical Formula
- C37H38F3N3O8
- Synonyms
- Not Available
- External IDs
- PM-00104
- PM00104
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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as benzazocines. These are organic compounds containing the benzazocine ring system, which consists of a benzene ring bound to an azocine ring.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Benzazocines
- Direct Parent
- Benzazocines
- Alternative Parents
- Cinnamic acid amides / Trifluoromethylbenzenes / Tetrahydroisoquinolines / Benzodioxoles / Styrenes / Anisoles / 1-hydroxy-4-unsubstituted benzenoids / Alkyl aryl ethers / Aralkylamines / N-methylpiperazines show 15 more
- Substituents
- 1,4-diazinane / 1-hydroxy-4-unsubstituted benzenoid / Acetal / Alkanolamine / Alkyl aryl ether / Alkyl fluoride / Alkyl halide / Amine / Amino acid or derivatives / Anisole show 34 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- C21EZR41AY
- CAS number
- 308359-57-1
- InChI Key
- VPAHZSUNBOYNQY-DLVGLDQCSA-N
- InChI
- InChI=1S/C37H38F3N3O8/c1-17-11-21-13-25-36(47)43-24(30(42(25)4)28(21)31(46)32(17)48-5)14-23-29(35-34(49-16-50-35)18(2)33(23)51-19(3)44)26(43)15-41-27(45)10-9-20-7-6-8-22(12-20)37(38,39)40/h6-12,24-26,30,36,46-47H,13-16H2,1-5H3,(H,41,45)/b10-9+/t24-,25-,26-,30-,36-/m0/s1
- IUPAC Name
- (1R,2S,13R,15S,16S)-15,22-dihydroxy-21-methoxy-6,20,24-trimethyl-13-{[(2E)-3-[3-(trifluoromethyl)phenyl]prop-2-enamido]methyl}-8,10-dioxa-14,24-diazahexacyclo[14.7.1.0^{2,14}.0^{4,12}.0^{7,11}.0^{18,23}]tetracosa-4(12),5,7(11),18(23),19,21-hexaen-5-yl acetate
- SMILES
- COC1=C(O)C2=C(C[C@H]3[C@H](O)N4[C@@H](CC5=C([C@@H]4CNC(=O)\C=C\C4=CC=CC(=C4)C(F)(F)F)C4=C(OCO4)C(C)=C5OC(C)=O)[C@@H]2N3C)C=C1C
References
- General References
- Not Available
- External Links
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Askin's Tumor of the Chest Wall / Ewing's Sarcoma / Extraosseous Ewing's Sarcoma (EOE) / Primitive Neuroectodermal Tumor 1 2 Terminated Treatment Endometrial Cancer / Uterine Cervical Cancer 1 1 Terminated Treatment Lymphoma / Solid Tumors 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 0.0252 mg/mL ALOGPS logP 3.33 ALOGPS logP 5.5 Chemaxon logS -4.4 ALOGPS pKa (Strongest Acidic) 9.35 Chemaxon pKa (Strongest Basic) 7.15 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 130.03 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 180.8 m3·mol-1 Chemaxon Polarizability 70.93 Å3 Chemaxon Number of Rings 7 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 258.8552 predictedDeepCCS 1.0 (2019) [M+H]+ 260.7506 predictedDeepCCS 1.0 (2019) [M+Na]+ 266.81485 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 22:27 / Updated at June 12, 2020 16:53