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

Compound InformationSONAR Target prediction
Name:

MUNDOSERONE

Unique Identifier:SPE00201477
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:326.216 g/mol
X log p:11.415  (online calculus)
Lipinksi Failures1
TPSA63.22
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:3
Canonical Smiles:COc1ccc2C(=O)C3C(COc4cc(OC)c(OC)cc34)Oc2c1
Class:rotenoid
Source:Mundulea suberosa; mp 156-161 C
Reference:Proc Chem Soc 1960:176; 1969:177

Found: 132 active | as graph: single | with analogs [1] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [132]
Species: 4932
Condition: SMI1
Replicates: 2
Raw OD Value: r im 0.3429±0.0258094
Normalized OD Score: sc h 0.5628±0.0275095
Z-Score: -9.1941±0.202827
p-Value: 7.59342e-20
Z-Factor: 0.503399
Fitness Defect: 44.0244
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|H7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.00 Celcius
Date:2005-12-20 YYYY-MM-DD
Plate CH Control (+):0.038375±0.00124
Plate DMSO Control (-):0.602025±0.02645
Plate Z-Factor:0.8185
png
ps
pdf

DBLink | Rows returned: 2
315227
3083809

internal high similarity DBLink | Rows returned: 4
SPE00201153 0.9231
SPE00211231 0.9231
BTB 14028 0.9286
SPE00201449 0.9286

nonactive | Cluster 3220 | Additional Members: 18 | Rows returned: 141 2 3 Next >> 
SPE00203010 0.535714285714286
SPE00211231 0.511904761904762
SPE00200015 0.48780487804878
SPE00211224 0.482352941176471
SPE00240590 0.444444444444444
SPE00201138 0.4375

Service provided by the Mike Tyers Laboratory