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Compound InformationSONAR Target prediction
Name:

SQ 22536

Unique Identifier:LOPAC 00464
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C9H11N5O
Molecular Weight:194.129 g/mol
X log p:3.356  (online calculus)
Lipinksi Failures0
TPSA49.55
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:1
Canonical Smiles:Nc1ncnc2n(cnc12)C1CCCO1
Class:Cyclic Nucleotides
Action:Inhibitor
Selectivity:Adenylyl cyclase

Found: 24 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: ESC2
Replicates: 2
Raw OD Value: r im 0.4814±0.00735391
Normalized OD Score: sc h 1.0226±0.00583568
Z-Score: 0.6956±0.136337
p-Value: 0.488726
Z-Factor: -3.27515
Fitness Defect: 0.716
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:15|H3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:28.30 Celcius
Date:2005-11-25 YYYY-MM-DD
Plate CH Control (+):0.0387±0.00145
Plate DMSO Control (-):0.46597500000000003±0.01191
Plate Z-Factor:0.9089
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DBLink | Rows returned: 2
5270 9-(oxolan-2-yl)purin-6-amine
6603995 9-[(2S)-oxolan-2-yl]purin-6-amine

internal high similarity DBLink | Rows returned: 0

active | Cluster 9750 | Additional Members: 25 | Rows returned: 4
Prest466 0.433333333333333
SPE01502238 0.423728813559322
SPE01500667 0.258620689655172
Prest983 0

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