Compound Information | SONAR Target prediction | Name: | Gentamicine sulfate | Unique Identifier: | Prest240 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C60H125N15O25S | Molecular Weight: | 1364.81 g/mol | X log p: | -3.544 (online calculus) | Lipinksi Failures | 1 | TPSA | 36.92 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 12 | Rotatable Bond Count: | 7 | Canonical Smiles: | CNC(C)C1CCC(N)C(O1)OC1C(N)CC(N)C(OC2OCC(C)(O)C(NC)C2O)C1O.CNC1C(O)C(OC C1(C)O)OC1C(N)CC(N)C(OC2OC(CN)CCC2N)C1O.CNC1C(O)C(OCC1(C)O)OC1C(N)CC(N )C(OC2OC(CCC2N)C(C)N)C1O.OS(O)(=O)=O |
Species: |
9606 |
Condition: |
TMPPre003 |
Replicates: |
2 |
Raw OD Value: r im |
18447.0000±0 |
Normalized OD Score: sc h |
1.0084±0 |
Z-Score: |
0.2332±0 |
p-Value: |
0.815622 |
Z-Factor: |
-9.21646 |
Fitness Defect: |
0.2038 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Prestwick | Plate Number and Position: | 2|H11 | Drug Concentration: | 50.00 nM | OD Absorbance: | 0 nm | Robot Temperature: | 23.40 Celcius | Date: | 2006-10-10 YYYY-MM-DD | Plate CH Control (+): | 18614.5±2372.77494 | Plate DMSO Control (-): | 18453±1651.99066 | Plate Z-Factor: | -21.7740 |
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DBLink | Rows returned: 3 | |
5702059 |
(3R,4R,5R)-2-[(1S,2S,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(1-methylaminoethyl)oxan-2-yl]oxy-2-hydr oxy-cyclohexyl]oxy-5-methyl-4-methylamino-oxane-3,5-diol; sulfuric acid |
6419933 |
(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-[(1R)-1-aminoethyl]oxan-2-yl]oxy-2 -hydroxy-cyclohexyl]oxy-5-methyl-4-methylamino-oxane-3,5-diol; (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydro xy-cyclohexyl]oxy-5-methyl-4-methylamino-oxane-3,5-diol; (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-[(1R)-1-methylaminoethyl]oxan-2-yl ]oxy-2-hydroxy-cyclohexyl]oxy-5-methyl-4-methylamino-oxane-3,5-diol; sulfuric acid |
6604484 |
(2R,3S,4S,5S)-2-[(1S,2R,3S,4S,6R)-4,6-diamino-3-[(2R,3R,6R)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-2 -hydroxy-cyclohexyl]oxy-5-methyl-4-methylamino-oxane-3,5-diol; (2R,3S,4S,5S)-2-[(1S,2R,3S,4S,6R)-4,6-diamino-3-[(2R,3R,6R)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydro xy-cyclohexyl]oxy-5-methyl-4-methylamino-oxane-3,5-diol; (2R,3S,4S,5S)-2-[(1S,2R,3S,4S,6R)-4,6-diamino-3-[(2R,3R,6R)-3-amino-6-[(1S)-1-methylaminoethyl]oxan-2-yl ]oxy-2-hydroxy-cyclohexyl]oxy-5-methyl-4-methylamino-oxane-3,5-diol; sulfuric acid |
internal high similarity DBLink | Rows returned: 0 | |
active | Cluster 1 | Additional Members: 50 | Rows returned: 14 | 1 2 3 Next >> |
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