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

Compound InformationSONAR Target prediction
Name:

SEMUSTINE

Unique Identifier:SPE01503422
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:229.579 g/mol
X log p:0.337  (online calculus)
Lipinksi Failures0
TPSA49.74
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:6
Canonical Smiles:CC1CCC(CC1)NC(=O)N(CCCl)N=O
Source:synthetic
Therapeutics:antineoplastic

Found: 167 nonactive | as graph: single | with analogs [1] << Back 161 162 163 164 165 166 167 Next >> [167]
Species: 4932
Condition: TUB3
Replicates: 2
Raw OD Value: r im 0.6934±0.00622254
Normalized OD Score: sc h 1.0024±0.00323469
Z-Score: 0.1440±0.189363
p-Value: 0.886476
Z-Factor: -13.5476
Fitness Defect: 0.1205
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:13|D5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.30 Celcius
Date:2007-10-12 YYYY-MM-DD
Plate CH Control (+):0.0405±0.00060
Plate DMSO Control (-):0.678575±0.01732
Plate Z-Factor:0.9058
png
ps
pdf

DBLink | Rows returned: 221 2 3 4 Next >> 
5198 1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitroso-urea
64168 3-(1-adamantyl)-1-(2-chloroethyl)-1-nitroso-urea
64290 3-(2-adamantyl)-1-(2-chloroethyl)-1-nitroso-urea
64291 1-(2-chloroethyl)-1-nitroso-3-(3,5,7-trimethyl-1-adamantyl)urea
83809 1-(2-chloroethyl)-3-cyclododecyl-1-nitroso-urea
96954 1-(2-chloroethyl)-1-nitroso-3-(4-tert-butylcyclohexyl)urea

internal high similarity DBLink | Rows returned: 0

active | Cluster 2382 | Additional Members: 3 | Rows returned: 1
SPE01503110 0

Service provided by the Mike Tyers Laboratory