APPD
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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
- APPD
- DrugBank Accession Number
- DB18603
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 881.86
Monoisotopic: 881.341869187 - Chemical Formula
- C39H50F3N7O13
- Synonyms
- AMINOURIDYL PHENOXYPIPERIDINBENZYL BUTAMIDE
- D-GLYCERO-.ALPHA.-L-TALO-HEPTOFURANURONAMIDE, 5-O-(5-AMINO-5-DEOXY-.BETA.-D-RIBOFURANOSYL)-1,6-DIDEOXY-1-(3,4-DIHYDRO-2,4-DIOXO-1(2H)-PYRIMIDINYL)-6-((4-OXO-4-(((4-(4-(4-(TRIFLUOROMETHOXY)PHENOXY)-1-PIPERIDINYL)PHENYL)METHYL)AMINO)BUTYL)AMINO)-
- External IDs
- APPD
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
- YG9BKQ6J2Z
- CAS number
- 2364414-26-4
- InChI Key
- XXRKRPJUCVNNCH-AMFJOBICSA-N
- InChI
- InChI=1S/C39H50F3N7O13/c40-39(41,42)62-24-9-7-22(8-10-24)58-23-11-15-48(16-12-23)21-5-3-20(4-6-21)19-46-26(50)2-1-14-45-28(35(44)56)33(61-37-32(55)29(52)25(18-43)59-37)34-30(53)31(54)36(60-34)49-17-13-27(51)47-38(49)57/h3-10,13,17,23,25,28-34,36-37,45,52-55H,1-2,11-12,14-16,18-19,43H2,(H2,44,56)(H,46,50)(H,47,51,57)/t25-,28+,29-,30-,31-,32+,33+,34-,36-,37+/m1/s1
- IUPAC Name
- 4-{[(1S,2S)-2-{[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy}-1-carbamoyl-2-[(2S,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethyl]amino}-N-[(4-{4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl}phenyl)methyl]butanamide
- SMILES
- [H][C@@]1(O[C@@H]([C@H](NCCCC(=O)NCC2=CC=C(C=C2)N2CCC(CC2)OC2=CC=C(OC(F)(F)F)C=C2)C(N)=O)[C@@]2([H])O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)O[C@H](CN)[C@@H](O)[C@H]1O
References
- General References
- Not Available
- External Links
- ChEMBL
- CHEMBL4776441
- Wikipedia
- APPD
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 logP -1.2 Chemaxon pKa (Strongest Acidic) 9.29 Chemaxon pKa (Strongest Basic) 8.63 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 16 Chemaxon Hydrogen Donor Count 9 Chemaxon Polar Surface Area 289.96 Å2 Chemaxon Rotatable Bond Count 19 Chemaxon Refractivity 203.07 m3·mol-1 Chemaxon Polarizability 86 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 October 03, 2023 22:55 / Updated at October 05, 2023 17:34