| Compound Information | SONAR Target prediction |
| Name: | Dipyridamole |
| Unique Identifier: | Prest145 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C24H40N8O4 |
| Molecular Weight: | 464.308 g/mol |
| X log p: | -0.67 (online calculus) |
| Lipinksi Failures | 2 |
| TPSA | 62.4 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 12 |
| Rotatable Bond Count: | 12 |
| Canonical Smiles: | OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO |
| Generic_name: | Dipyridamole |
| Chemical_iupac_name: | 2-[[3-[bis(2-hydroxyethyl)amino]-5,10-bis(1-piperidyl)-2,4,7,9-tetrazabicyclo[4.4.0] deca-2,4,7,9,11-pentaen-8-yl]-(2-hydroxyethyl)amino]ethanol |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA449367 |
| Kegg_compound_id: | C06964 |
| Drugbank_id: | APRD00360 |
| Melting_point: | 163oC |
| H2o_solubility: | Slightly |
| Logp: | -0.01 |
| Cas_registry_number: | 58-32-2 |
| Drug_category: | Vasodilator Agents; ATC:B01AC07 |
| Indication: | For as an adjunct to coumarin anticoagulants in the prevention of postoperative thromboembolic complications of cardiac valve replacement and also used in prevention of angina. |
| Pharmacology: | Dipyridamole, a non-nitrate coronary vasodilator that also inhibits platelet aggregation, is combined with other anticoagulant drugs, such as warfarin, to prevent thrombosis in patients with valvular or vascular disorders. Dipyridamole is also used in myocardial perfusion imaging, as an antiplatelet agent, and in combination with aspirin for stroke prophylaxis. |
| Mechanism_of_action: | Dipyridamole likely inhibits both adenosine deaminase and phosphodiesterase, preventing the degradation of cAMP, an inhibitor of platelet function. This elevation in cAMP blocks the release of arachidonic acid from membrane phospholipids and reduces thromboxane A2 activity. Dipyridamole also directly stimulates the release of prostacyclin, which induces adenylate cyclase activity, thereby raising the intraplatelet concentration of cAMP and further inhibiting platelet aggregation. |
| Organisms_affected: | Humans and other mammals |
| Found: 3 active as graph: single | with analogs | 1 2 3 Next >> |
| Species: | 9606 |
| Condition: | TMPPre001 |
| Replicates: | 2 |
| Raw OD Value: r im | 1602.0000±0 |
| Normalized OD Score: sc h | 0.7708±0 |
| Z-Score: | -5.1672±0 |
| p-Value: | 0.00000023763 |
| Z-Factor: | -4.94193 |
| Fitness Defect: | 15.2526 |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 2 |
| 3108 | 2-[[9-(bis(2-hydroxyethyl)amino)-2,7-bis(1-piperidyl)-3,5,8,10-tetrazabicyclo[4.4.0]deca-2,4,7,9,11-pent aen-4-yl]-(2-hydroxyethyl)amino]ethanol |
| 350889 | 2-[[2,7-bis(1-piperidyl)-3,5,8,10-tetrazabicyclo[4.4.0]deca-2,4,7,9,11-pentaen-9-yl]-(2-hydroxyethyl)ami no]ethanol |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 4824 | Additional Members: 3 | Rows returned: 1 |
| SPE01500259 | 0 |
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