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Compound InformationSONAR Target prediction
Name:

DIPYRIDAMOLE

Unique Identifier:SPE01500259
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:464.308 g/mol
X log p:-0.67  (online calculus)
Lipinksi Failures2
TPSA62.4
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
Source:synthetic
Therapeutics:coronary vasodilator
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: 8 active | as graph: single | with analogs 2 3 4 5 6 7 8 Next >> 
Species: 4932
Condition: BY4741
Replicates: 2
Raw OD Value: r im 0.8140±0.00155563
Normalized OD Score: sc h 0.1280±0.00208271
Z-Score: -53.7198±0.646524
p-Value: 0
Z-Factor: 0.9065
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:2|F11
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.083±0.00644
Plate DMSO Control (-):0.9722500000000001±0.02792
Plate Z-Factor:0.9122
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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: 1
LOPAC 00035 1.0000

nonactive | Cluster 4824 | Additional Members: 3 | Rows returned: 1
LOPAC 00035 0

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