Repositioning Candidate Details
| Candidate ID: | R0059 |
| Source ID: | DB00171 |
| Source Type: | investigational; nutraceutical |
| Compound Type: | small molecule |
| Compound Name: | ATP |
| Synonyms: | Adenosine 5'-triphosphate; Adenosine triphosphate; Adenosine-5'-triphosphate; ATP |
| Molecular Formula: | C10H16N5O13P3 |
| SMILES: | NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |
| Structure: |
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| DrugBank Description: | An adenine nucleotide containing three phosphate groups esterified to the sugar moiety. In addition to its crucial roles in metabolism adenosine triphosphate is a neurotransmitter. |
| CAS Number: | 56-65-5 |
| Molecular Weight: | 507.181 |
| DrugBank Indication: | For nutritional supplementation, also for treating dietary shortage or imbalance |
| DrugBank Pharmacology: | Adenosine triphosphate (ATP) is the nucleotide known in biochemistry as the "molecular currency" of intracellular energy transfer; that is, ATP is able to store and transport chemical energy within cells. ATP also plays an important role in the synthesis of nucleic acids. The total quantity of ATP in the human body is about 0.1 mole. The energy used by human cells requires the hydrolysis of 200 to 300 moles of ATP daily. This means that each ATP molecule is recycled 2000 to 3000 times during a single day. ATP cannot be stored, hence its consumption must closely follow its synthesis. |
| DrugBank MoA: | ATP is able to store and transport chemical energy within cells. ATP also plays an important role in the synthesis of nucleic acids. ATP can be produced by various cellular processes, most typically in mitochondria by oxidative phosphorylation under the catalytic influence of ATP synthase. The total quantity of ATP in the human body is about 0.1 mole. The energy used by human cells requires the hydrolysis of 200 to 300 moles of ATP daily. This means that each ATP molecule is recycled 2000 to 3000 times during a single day. ATP cannot be stored, hence its consumption must closely follow its synthesis. |
| Targets: | Abelson tyrosine-protein kinase 2 inhibitor; P-glycoprotein 1; ATP-binding cassette sub-family G member 1; Canalicular multispecific organic anion transporter 1; ATP-binding cassette sub-family A member 1; Acetyl-coenzyme A synthetase, cytoplasmic; ALK tyrosine kinase receptor; NEDD8-activating enzyme E1 regulatory subunit; 5'-AMP-activated protein kinase catalytic subunit alpha-1; Serine/threonine-protein kinase A-Raf; Serine/threonine-protein kinase receptor R3; Long-chain-fatty-acid--CoA ligase 1; Cytosolic purine 5'-nucleotidase; ATPase ASNA1; ATP-binding cassette sub-family C member 9; RAC-alpha serine/threonine-protein kinase; Beta-adrenergic receptor kinase 1; Apoptotic protease-activating factor 1; Acetyl-coenzyme A synthetase 2-like, mitochondrial; Activin receptor type-1B; Activin receptor type-1; Bile salt export pump; Asparagine synthetase [glutamine-hydrolyzing]; Cyclin-dependent kinase 15; ADP/ATP translocase 1; ATP-binding cassette sub-family C member 8; Argininosuccinate synthase; AFG3-like protein 2; Beta-adrenergic receptor kinase 2; Anti-Muellerian hormone type-2 receptor; Activated CDC42 kinase 1; Tyrosine-protein kinase ABL1 inhibitor; Adenylate cyclase type 1; Multidrug resistance-associated protein 6; Multidrug resistance-associated protein 4; Multidrug resistance-associated protein 1; Cystic fibrosis transmembrane conductance regulator cofactor; Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform; Casein kinase II subunit alpha; Casein kinase II subunit beta; P2Y purinoceptor 11; Serine/threonine-protein phosphatase 5 |
| Inclusion Criteria: | Indication associated |
| Strategy ID | Strategy | Synonyms | Related Targets | Related Drugs | |
|---|---|---|---|---|---|
| S03 | Anti-fibrosis | fibrosis | Angiotensin Receptor Blocker (ARB); CCR2/CCR5 antagonist; Thyroid receptor β agonist; PEGylated human FGF21 analogue; Monoclonal antibody to lysyl oxidase-like 2 (LOXL2); Galectin-3 inhibitor; FGF19 variant | Losartan; Cenicriviroc; VK-2809; MGL-3196; Pegbelfermin; Simtuzumab; GR-MD-02; NGM282 | Details |
| Target ID | Target Name | GENE | Action | Class | UniProtKB ID | Entry Name |
|---|
| Diseases ID | DO ID | Disease Name | Definition | Class | |
|---|---|---|---|---|---|
| I02 | 5113 | Nutritional deficiency disease | A nutrition disease that is characterized by deficiency of a nutritional element, such as a vitamin, mineral, carbohydrate, protein, fat, or general energy content. https://medlineplus.gov/malnutrition.html | disease of metabolism/acquired metabolic disease/nutrition disease | Details |