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Compound InformationSONAR Target prediction
Name:

BUCLADESINE

Unique Identifier:SPE01503043
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:445.195 g/mol
X log p:2.342  (online calculus)
Lipinksi Failures1
TPSA138.26
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:13
Rotatable Bond Count:9
Canonical Smiles:CCCC(=O)Nc1ncnc2n(cnc12)C1OC2COP(O)(=O)OC2C1OC(=O)CCC
Source:synthetic
Therapeutics:vasodilator

Found: 205 nonactive as graph: single | with analogs [1] << Back 141 142 143 144 145 146 147 148 149 150  Next >> [205]
Species: 4932
Condition: MT2481-pdr1pdr3-1st
Replicates: 2
Raw OD Value: r im 0.6135±0.00247487
Normalized OD Score: sc h 0.9860±0.00324941
Z-Score: -0.6536±0.126552
p-Value: 0.515056
Z-Factor: -4.58554
Fitness Defect: 0.6635
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:17|G4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.40 Celcius
Date:2008-01-25 YYYY-MM-DD
Plate CH Control (+):0.040400000000000005±0.00029
Plate DMSO Control (-):0.60615±0.01244
Plate Z-Factor:0.9379
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DBLink | Rows returned: 121 2 Next >> 
2460 [8-[6-(butanoylamino)purin-9-yl]-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]non-9-yl]
butanoate
3029 [8-[6-(butanoylamino)purin-9-yl]-3-oxido-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]non-9-yl]
butanoate
9687 [(1R,6R,8R,9R)-8-[6-(butanoylamino)purin-9-yl]-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0
]non-9-yl] butanoate
167813 sodium
[(1R,6R,8R,9R)-8-[6-(butanoylamino)purin-9-yl]-3-oxido-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]n
on-9-yl] butanoate
2724338 sodium
[(1R,6R,7R,8R)-8-[6-(butanoylamino)purin-9-yl]-4-oxido-4-oxo-3,5,9-trioxa-4$l^{5}-phosphabicyclo[4.3.0]n
on-7-yl] butanoate hydrate
5702210 [(1R,6R,9R)-8-[6-(butanoylamino)purin-9-yl]-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]no
n-9-yl] butanoate

internal high similarity DBLink | Rows returned: 0

active | Cluster 11040 | Additional Members: 3 | Rows returned: 0
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