Compound Information | SONAR 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 Failures | 0 | TPSA | 49.74 | 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 |
Species: |
4932 |
Condition: |
CCR4 |
Replicates: |
2 |
Raw OD Value: r im |
0.5634±0.000707107 |
Normalized OD Score: sc h |
0.8991±0.00299694 |
Z-Score: |
-4.3067±0.162699 |
p-Value: |
0.0000187397 |
Z-Factor: |
0.0102608 |
Fitness Defect: |
10.8849 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 2|A7 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 28.70 Celcius | Date: | 2008-04-16 YYYY-MM-DD | Plate CH Control (+): | 0.042325±0.00078 | Plate DMSO Control (-): | 0.607225±0.01660 | Plate Z-Factor: | 0.9068 |
| png ps pdf |
208788 |
1-(2-chloroethyl)-3-(4-ethylcyclohexyl)-1-nitroso-urea |
261233 |
1-(2-chloroethyl)-1-nitroso-3-(1,7,7-trimethylnorbornan-2-yl)urea |
262108 |
1-(2-chloroethyl)-3-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5, 6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-1-nitroso-urea |
262479 |
1-(2-chloroethyl)-3-(1-methylcyclohexyl)-1-nitroso-urea |
285728 |
1-(2-chloroethyl)-3-[4-[[4-[(2-chloroethyl-nitroso-carbamoyl)amino]cyclohexyl]methyl]cyclohexyl]-1-nitro so-urea |
311786 |
1-(2-chloroethyl)-3-heptan-2-yl-1-nitroso-urea |
internal high similarity DBLink | Rows returned: 0 | |
active | Cluster 2382 | Additional Members: 3 | Rows returned: 1 | |
|