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Compound InformationSONAR Target prediction
Name:

5-hydroxydecanoic acid sodium

Unique Identifier:LOPAC 00965
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C10H19NaO3
Molecular Weight:191.095 g/mol
X log p:-1.325  (online calculus)
Lipinksi Failures0
TPSA40.13
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:8
Canonical Smiles:[Na+].[O-]C(=O)CCCC(O)CCCCC
Class:K+ Channel
Action:Blocker

Found: 24 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [24]
Species: 4932
Condition: SQS1
Replicates: 2
Raw OD Value: r im 0.7019±0.00834386
Normalized OD Score: sc h 0.9914±0.00544886
Z-Score: -0.4643±0.370986
p-Value: 0.65371
Z-Factor: -11.9716
Fitness Defect: 0.4251
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:8|G9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-05-21 YYYY-MM-DD
Plate CH Control (+):0.04935±0.00268
Plate DMSO Control (-):0.73065±0.06400
Plate Z-Factor:0.6026
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DBLink | Rows returned: 88<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
5284157 (4R)-4-[(3R,5S,7R,8R,9S,10R,13S,14S,17S)-3,7,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,
16-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
5284161 (4R)-4-[(3R,5S,7S,8R,9S,10R,13S,14S,17S)-3,7,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,
16-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
5284217 (6S)-5-hydroxy-2-methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5
,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid
5284222 (6R)-6-[(5R,7S,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,1
5,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptanoic acid
5284223 (6R)-6-[(5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,1
5,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptanoic acid
5284224 (6R)-6-[(5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,1
5,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptanoic acid

internal high similarity DBLink | Rows returned: 141 2 3 Next >> 
SPE01500840 0.9130
SPE01500837 0.9130
SPE01500605 0.9130
BTB 09776 0.9167
RH 01730 0.9167
SPE01504104 0.9167

active | Cluster 12601 | Additional Members: 1 | Rows returned: 0
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