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Compound InformationSONAR Target prediction
Name:

DEOXYADENOSINE

Unique Identifier:SPE01502238
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:238.139 g/mol
X log p:2.791  (online calculus)
Lipinksi Failures0
TPSA49.55
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:2
Canonical Smiles:Nc1ncnc2n(cnc12)C1CC(O)C(CO)O1
Class:alkaloid
Source:synthetic
Generic_name:2--DEOXYADENOSINE
Chemical_iupac_name:5-(6-AMINO-PURIN-9-YL)-2-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-OL
Drug_type:Experimental
Drugbank_id:EXPT00166
Logp:-1.08
Drug_category:Purine Trans Deoxyribosylase inhibitor
Organisms_affected:-1

Found: 202 nonactive | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [202]
Species: 4932
Condition: BCK2
Replicates: 2
Raw OD Value: r im 0.7674±0.0233345
Normalized OD Score: sc h 0.9959±0.00319902
Z-Score: -0.1635±0.114304
p-Value: 0.870518
Z-Factor: -11.7629
Fitness Defect: 0.1387
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|A7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2006-03-29 YYYY-MM-DD
Plate CH Control (+):0.03815±0.00160
Plate DMSO Control (-):0.7476±0.01166
Plate Z-Factor:0.9529
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DBLink | Rows returned: 102 Next >> 
636 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
13730 (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
72246 (2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
453553 (2S,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
489519 (2S,3R,5S)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
6541020 (2R,3R,5S)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

internal high similarity DBLink | Rows returned: 4
BTB 14111 0.9463
LOPAC 00011 0.9533
SPE01500107 0.9533
SPE01500609 0.9533

active | Cluster 9750 | Additional Members: 25 | Rows returned: 3
Prest466 0.433333333333333
SPE01500667 0.258620689655172
Prest983 0

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