This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- TPI-287
- DrugBank Accession Number
- DB17168
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for TPI-287 (DB17168)
- Weight
- Average: 870.002
Monoisotopic: 869.419770333 - Chemical Formula
- C46H63NO15
- Synonyms
- (2'R,3'S)-2'-hydroxy-N-carboxy-3'-amino-5'-methyl-hexanoic,N-tert-butyl ester, 13 ester 5B-20-epoxy-1B,2a,4a,7B,9a,10a,13a-heptahydroxy-4,10-diacetate-2-benzoate-(1"S)-7,9-acrolein acetal-11(15-1)-abeotaxane
- TPI-287
- External IDs
- TPI 287
- TPI-287
- TPI287
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- A2VM2V569A
- CAS number
- 849213-15-6
- InChI Key
- FDTAUJJRHBRHIJ-FDJAAIFISA-N
- InChI
- InChI=1S/C46H63NO15/c1-13-32-58-30-20-31-45(22-55-31,61-26(6)49)36-38(60-39(51)27-17-15-14-16-18-27)46(54)21-29(57-40(52)34(50)28(19-23(2)3)47-41(53)62-42(7,8)9)24(4)33(43(46,10)11)35(56-25(5)48)37(59-32)44(30,36)12/h13-18,23,28-32,34-38,50,54H,1,19-22H2,2-12H3,(H,47,53)/t28-,29-,30-,31+,32?,34+,35-,36-,37-,38-,44+,45-,46+/m0/s1
- IUPAC Name
- (1R,2S,5R,7S,11R,12S,15S,17S,18S,19S)-2,12-bis(acetyloxy)-15-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-5-methylhexanoyl]oxy}-9-ethenyl-17-hydroxy-14,19,20,20-tetramethyl-4,8,10-trioxapentacyclo[9.7.1.1^{13,17}.0^{2,5}.0^{7,19}]icos-13-en-18-yl benzoate
- SMILES
- [H][C@@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(C)=C([C@H](OC(C)=O)[C@@H]4OC(O[C@@H](C[C@H]5OC[C@@]15OC(C)=O)[C@]24C)C=C)C3(C)C
References
- General References
- Not Available
- External Links
- ChemSpider
- 9738939
Clinical Trials
- Clinical Trials
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Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data2 Terminated Treatment Glioblastoma Multiforme (GBM) 1 somestatus stop reason just information to hide 1 Completed Other Alzheimer's Disease (AD) 1 somestatus stop reason just information to hide 1 Completed Treatment Cortical Basal Syndrome (CBS) / Corticobasal Degeneration Syndrome (CBD) / Primary Four Repeat Tauopathies (4RT) / Progressive Supranuclear Palsy (PSP) 1 somestatus stop reason just information to hide 1, 2 Suspended Treatment Glioblastoma Multiforme (GBM) 1 somestatus stop reason just information to hide 1, 2 Terminated Treatment Brain Neoplasm / Central Nervous System Neoplasm 1 somestatus stop reason just 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
Property Value Source Water Solubility 0.00868 mg/mL ALOGPS logP 4.03 ALOGPS logP 4.65 Chemaxon logS -5 ALOGPS pKa (Strongest Acidic) 12.07 Chemaxon pKa (Strongest Basic) -3.6 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 211.68 Å2 Chemaxon Rotatable Bond Count 17 Chemaxon Refractivity 218.99 m3·mol-1 Chemaxon Polarizability 90.37 Å3 Chemaxon Number of Rings 6 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
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at November 22, 2022 22:26 / Updated at July 18, 2023 22:58