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Compound InformationSONAR Target prediction
Name:

ARACHIDONIC ACID

Unique Identifier:SPE01504138
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:272.213 g/mol
X log p:15.756  (online calculus)
Lipinksi Failures2
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:14
Canonical Smiles:CCCCCC=CCC=CCC=CCC=CCCCC(O)=O
Source:widespread in animal tissue
Therapeutics:prostaglandin & leucotriene precursor, stimulates NO biosynthesis
Generic_name:ARACHIDONIC ACID
Chemical_iupac_name:ARACHIDONIC ACID
Drug_type:Experimental
Kegg_compound_id:C00219
Drugbank_id:EXPT00409
Logp:4.881
Cas_registry_number:506-32-1
Drug_category:Prostaglandin H2 Synthase-1 inhibitor
Organisms_affected:-1

Found: 186 nonactive | as graph: single | with analogs [1] << Back 181 182 183 184 185 186
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.6370±0.031537
Normalized OD Score: sc h 0.9530±0.0522295
Z-Score: -1.5375±1.67782
p-Value: 0.365994
Z-Factor: -3.79929
Fitness Defect: 1.0051
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:24|H6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.90 Celcius
Date:2006-02-22 YYYY-MM-DD
Plate CH Control (+):0.040225±0.00086
Plate DMSO Control (-):0.6349750000000001±0.02137
Plate Z-Factor:0.8823
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DBLink | Rows returned: 212 3 4 Next >> 
231 icosa-5,8,11,14-tetraenoic acid
444899 (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoic acid
445084 (5E,11E,14E)-icosa-5,11,14-trienoic acid
3037205 (5Z,8Z,11Z,14Z)-5,6,8,9,11,12,14,15-octatritioicosa-5,8,11,14-tetraenoic acid
3246804 (5Z,8Z,11Z,14Z)-5,6,8,9,11,12,14,15-octadeuterioicosa-5,8,11,14-tetraenoic acid
5312408 (5E,8E)-tetradeca-5,8-dienoic acid

internal high similarity DBLink | Rows returned: 1
LOPAC 00855 0.9783

active | Cluster 8909 | Additional Members: 3 | Rows returned: 0

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