| Compound Information | SONAR Target prediction |
| Name: | ADENOSINE |
| Unique Identifier: | SPE01500107 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 254.138 g/mol |
| X log p: | 2.723 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 49.55 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 9 |
| Rotatable Bond Count: | 2 |
| Canonical Smiles: | Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O |
| Class: | alkaloid |
| Source: | widespread in living tissue |
| Therapeutics: | antiarrhythmic, cardiac depressant |
| Generic_name: | Adenosine |
| Chemical_iupac_name: | 2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA448049 |
| Kegg_compound_id: | C00212 |
| Drugbank_id: | APRD00132 |
| Melting_point: | 235.5 oC |
| H2o_solubility: | 8230 mg/L |
| Logp: | -2.115 |
| Cas_registry_number: | 58-61-7 |
| Mass_spectrum: | http://webbook.nist.gov/cgi/cbook.cgi?Spec=C58617&Index=0&Type=Mass&Large=on |
| Drug_category: | Vasodilator Agents; Antiarrhythmic Agents; Analgesics; Cardiac drugs; ATC:C01EB10 |
| Indication: | For controlling paroxysmal supraventricular tachycardia (PSVT). This drug can also be used diagnostically for stable, wide complex tachyardias of unknown type. |
| Pharmacology: | Adenosine is an endogenous nucleoside occurring in all cells of the body and is not chemically related to other antiarrhythmic drugs. Adenosine is indicated for the conversion to sinus rhythm of paroxysmal supraventricular tachycardia (PSVT), including that associated with accessory bypass tracts (Wolff-Parkinson-White Syndrome). Adenosine is antagonized competitively by methylxanthines such as caffeine and theophylline, and potentiated by blockers of nucleoside transport such as dipyridamole. Adenosine is not blocked by atropine. |
| Mechanism_of_action: | Adenosine slows conduction time through the A-V node, can interrupt the reentry pathways through the A-V node, and can restore normal sinus rhythm in patients with paroxysmal supraventricular tachycardia (PSVT), including PSVT associated with Wolff-Parkinson-White Syndrome. |
| Organisms_affected: | Humans and other mammals |
| Found: 205 nonactive as graph: single | with analogs | [1] << Back 111 112 113 114 115 116 117 118 119 120 Next >> [205] |
| Species: | 4932 |
| Condition: | AAT2 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.7112±0.00650538 |
| Normalized OD Score: sc h | 0.9944±0.0116521 |
| Z-Score: | -0.2897±0.612162 |
| p-Value: | 0.678052 |
| Z-Factor: | -49.8859 |
| Fitness Defect: | 0.3885 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 30 | 1 2 3 4 5 Next >> |
| 191 | 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
| 21704 | (2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
| 32326 | (2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol hydrate |
| 60961 | (2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
| 96368 | (2S,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
| 102198 | (3S,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
| internal high similarity DBLink | Rows returned: 6 |
| LOPAC 00050 | 0.9091 |
| LOPAC 00014 | 0.9202 |
| SPE01502238 | 0.9533 |
| BTB 14111 | 0.9800 |
| LOPAC 00011 | 1.0000 |
| SPE01500609 | 1.0000 |
| nonactive | Cluster 9750 | Additional Members: 25 | Rows returned: 20 | 1 2 3 4 Next >> |
| LOPAC 00771 | 0.526315789473684 |
| SPE01503416 | 0.508771929824561 |
| LOPAC 01041 | 0.508771929824561 |
| SPE01505705 | 0.477611940298508 |
| SPE01505167 | 0.446428571428571 |
| LOPAC 00464 | 0.436363636363636 |
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