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

Compound InformationSONAR Target prediction
Name:

Sodium Taurocholate

Unique Identifier:LOPAC 00673
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C26H44NNaO7S
Molecular Weight:493.337 g/mol
X log p:-2.497  (online calculus)
Lipinksi Failures0
TPSA68.82
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:9
Canonical Smiles:CC(CCC(=O)NCCS(=O)(=O)O[Na])C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
Class:Multi-Drug Resistance
Action:Modulator
Selectivity:Conjugate Pathway

Found: 24 nonactive as graph: single | with analogs [1] << Back 21 22 23 24 Next >> [24]
Species: 4932
Condition: WHI3
Replicates: 2
Raw OD Value: r im 0.6997±0.020294
Normalized OD Score: sc h 1.0077±0.0113167
Z-Score: 0.2438±0.361988
p-Value: 0.803766
Z-Factor: -7.76176
Fitness Defect: 0.2184
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:1|B10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-04-20 YYYY-MM-DD
Plate CH Control (+):0.045475±0.00112
Plate DMSO Control (-):0.679375±0.02217
Plate Z-Factor:0.8765
png
ps
pdf

DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 1
JFD 03704 1.0000

nonactive | Cluster 10691 | Additional Members: 8 | Rows returned: 4
Prest768 0.189189189189189
SPE01500904 0.166666666666667
SPE01500840 0
LAT004A10 0

Service provided by the Mike Tyers Laboratory