Home | Screening data | Screen comparisons | Search for compounds | Structure search

Compound InformationSONAR Target prediction
Name:

PARAXANTHINE

Unique Identifier:SPE02300170
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:172.101 g/mol
X log p:1.673  (online calculus)
Lipinksi Failures0
TPSA52.98
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:0
Canonical Smiles:Cn1cnc2NC(=O)N(C)C(=O)c12
Source:synthetic
Reference:Eur J Pharmacol 179: 295 (1990)
Therapeutics:adenosine receptor agonist

Found: 192 nonactive as graph: single | with analogs [1] << Back 171 172 173 174 175 176 177 178 179 180  Next >> [192]
Species: 4932
Condition: SEC22
Replicates: 2
Raw OD Value: r im 0.6596±0.0306884
Normalized OD Score: sc h 0.9883±0.00482513
Z-Score: -0.4038±0.148407
p-Value: 0.687968
Z-Factor: -5.53122
Fitness Defect: 0.374
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:20|F4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.20 Celcius
Date:2007-10-16 YYYY-MM-DD
Plate CH Control (+):0.039650000000000005±0.00174
Plate DMSO Control (-):0.65785±0.01586
Plate Z-Factor:0.8884
png
ps
pdf

DBLink | Rows returned: 1
4687 1,7-dimethyl-3H-purine-2,6-dione

internal high similarity DBLink | Rows returned: 5
LOPAC 00005 0.9658
SPE01500649 0.9658
LOPAC 00008 0.9726
SPE01500155 0.9726
LOPAC 00004 1.0000

active | Cluster 11665 | Additional Members: 2 | Rows returned: 0
Service provided by the Mike Tyers Laboratory