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

Compound InformationSONAR Target prediction
Name:

DEGUELIN(-)

Unique Identifier:SPE00201138
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:372.242 g/mol
X log p:13.465  (online calculus)
Lipinksi Failures1
TPSA63.22
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:2
Canonical Smiles:COc1cc2OCC3Oc4c(ccc5OC(C)(C)C=Cc54)C(=O)C3c2cc1OC
Class:rotenoid
Source:Tephrosia & Derris spp
Reference:J Am Chem Soc 56: 2415 (1934); J Org Chem 44: 2580 (1979); Applied Microbiol 18: 660
(1969); Proc Natl Acad Sci 95: 3380 (1998); J Natl Cancer Inst 95: 29
Therapeutics:antineoplastic, antiviral, insecticide

Found: 204 nonactive | as graph: single | with analogs [1] << Back 191 192 193 194 195 196 197 198 199 200  Next >> [204]
Species: 4932
Condition: TIF3
Replicates: 2
Raw OD Value: r im 0.6024±0.00721249
Normalized OD Score: sc h 0.9749±0.0111508
Z-Score: -1.1882±0.557669
p-Value: 0.270382
Z-Factor: -8.76961
Fitness Defect: 1.3079
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:22|G7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.40 Celcius
Date:2007-10-31 YYYY-MM-DD
Plate CH Control (+):0.042±0.00072
Plate DMSO Control (-):0.6058250000000001±0.20089
Plate Z-Factor:-0.2519
png
ps
pdf

DBLink | Rows returned: 3
107935
184223
606171

internal high similarity DBLink | Rows returned: 2
SPE00203010 0.9752
SPE00211224 0.9901

active | Cluster 3220 | Additional Members: 18 | Rows returned: 91 2 Next >> 
SPE00203010 0.535714285714286
SPE00201477 0.513513513513513
SPE00211224 0.482352941176471
SPE00200851 0.425
LAT001C04 0.315068493150685
SPE00201449 0.315068493150685

Service provided by the Mike Tyers Laboratory