This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Adenosine disphosphate
- DrugBank Accession Number
- DB16833
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Adenosine disphosphate (DB16833)
- Weight
- Average: 427.203
Monoisotopic: 427.029415699 - Chemical Formula
- C10H15N5O10P2
- Synonyms
- ADP
Pharmacology
- Indication
Not Available
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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
- 61D2G4IYVH
- CAS number
- 58-64-0
- InChI Key
- XTWYTFMLZFPYCI-KQYNXXCUSA-N
- InChI
- InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
- IUPAC Name
- [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
- SMILES
- NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0001341
- KEGG Compound
- C00008
- ChemSpider
- 5800
- BindingDB
- 50368125
- ChEBI
- 16761
- ChEMBL
- CHEMBL14830
- ZINC
- ZINC000012360703
- PDBe Ligand
- ADP
- PDB Entries
- 13pk / 1a6e / 1a9x / 1am1 / 1amw / 1ao0 / 1aon / 1atr / 1ats / 1b4s … show 3477 more
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 3.27 mg/mL ALOGPS logP -1.6 ALOGPS logP -4.8 Chemaxon logS -2.1 ALOGPS pKa (Strongest Acidic) 1.77 Chemaxon pKa (Strongest Basic) 4.93 Chemaxon Physiological Charge -3 Chemaxon Hydrogen Acceptor Count 12 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 232.6 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 84.94 m3·mol-1 Chemaxon Polarizability 34.18 Å3 Chemaxon Number of Rings 3 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
Drug created at July 18, 2022 16:20 / Updated at December 01, 2022 11:31