10967/32 - QDB Compounds

QsarDB Repository

Ren, S.; Frymier, P.D.; Schultz, T.W. An exploratory study of the use of multivariate techniques to determine mechanisms of toxic action. Ecotoxicol. Environ. Saf. 2003, 55, 1, 86–97.

337 compounds | Property MOA: Mode of action

IDNameMOADetails
1EthylcarbamateNonpolar narcoticView
2BenzamideNonpolar narcoticView
3EthanolNonpolar narcoticView
4MethanolNonpolar narcoticView
52-PropanolNonpolar narcoticView
6AcetoneNonpolar narcoticView
7DimethylsulfoxideNonpolar narcoticView
81-PropanolNonpolar narcoticView
91-ButanolNonpolar narcoticView
101-PentanolNonpolar narcoticView
11AcetonitrileNonpolar narcoticView
122-Methyl-2-propanolNonpolar narcoticView
132-Methyl-1-propanolNonpolar narcoticView
142-ButanoneNonpolar narcoticView
15NaphthaleneNonpolar narcoticView
16QuinolineNonpolar narcoticView
17N,N-DiethylanilineNonpolar narcoticView
18BiphenylNonpolar narcoticView
19BenzothiazoleNonpolar narcoticView
201,2-DichlorobenzeneNonpolar narcoticView
213,4-DichlorotolueneNonpolar narcoticView
223-PentanoneNonpolar narcoticView
23IsopropylbenzeneNonpolar narcoticView
24AcetophenoneNonpolar narcoticView
25A,A-Dimethylbenzene propanolNonpolar narcoticView
26N,N-DimethylbenzylamineNonpolar narcoticView
27N-ButylbenzeneNonpolar narcoticView
282-Ethyl-1-hexanolNonpolar narcoticView
295-Ethyl-2-methylpyridineNonpolar narcoticView
30PropionitrileNonpolar narcoticView
312-PentanoneNonpolar narcoticView
324-Methyl-2-pentanoneNonpolar narcoticView
33BromobenzeneNonpolar narcoticView
344-MethylpyridineNonpolar narcoticView
35CyclohexanolNonpolar narcoticView
363-MethylpyridineNonpolar narcoticView
372-MethylpyridineNonpolar narcoticView
38PyrroleNonpolar narcoticView
395-Methyl-2-hexanoneNonpolar narcoticView
402-HeptanoneNonpolar narcoticView
416-Methyl-5-hepten-2-oneNonpolar narcoticView
422-OctanoneNonpolar narcoticView
431-HexanolNonpolar narcoticView
441-HeptanolNonpolar narcoticView
451-OctanolNonpolar narcoticView
462-UndecanoneNonpolar narcoticView
47DecylalcoholNonpolar narcoticView
481-TridecanolNonpolar narcoticView
49BenzophenoneNonpolar narcoticView
501,2,4-TrichlorobenzeneNonpolar narcoticView
51N,N-DimethylanilineNonpolar narcoticView
52DibenzofuranNonpolar narcoticView
531-NonanolNonpolar narcoticView
545-NonanoneNonpolar narcoticView
552-TolunitrileNonpolar narcoticView
56N-AmylbenzeneNonpolar narcoticView
573-Methyl-2-butanoneNonpolar narcoticView
582-HexanoneNonpolar narcoticView
592-TridecanoneNonpolar narcoticView
602-DecanoneNonpolar narcoticView
612-NonanoneNonpolar narcoticView
62Cis-3-Hexen-1-olNonpolar narcoticView
634-PhenylpyridineNonpolar narcoticView
64OctylcyanideNonpolar narcoticView
65UndecylcyanideNonpolar narcoticView
665-Chloro-2-pyridinolNonpolar narcoticView
671-Hexen-3-olNonpolar narcoticView
681,2-bis-(4-Pyridyl)-ethaneNonpolar narcoticView
692-DimethylaminopyridineNonpolar narcoticView
702-DodecanoneNonpolar narcoticView
714-Bromophenyl-3-pyridylketoneNonpolar narcoticView
724-BenzoylpyridineNonpolar narcoticView
736-Chloro-2-picolineNonpolar narcoticView
74AcrylamideNonpolar narcoticView
75NitrobenzeneNonpolar narcoticView
763-NitrotolueneNonpolar narcoticView
77DibutylfumarateNonpolar narcoticView
782-Methyl-3-butyn-2-olNonpolar narcoticView
79AcetoneoximeNonpolar narcoticView
802-Phenyl-3-butyn-2-olNonpolar narcoticView
814-Pentyn-2-olNonpolar narcoticView
823-BromothiopheneNonpolar narcoticView
831,4-DicyanobutaneNonpolar narcoticView
843-Methyl-1-pentyn-3-olNonpolar narcoticView
85CyclohexanoneoximeNonpolar narcoticView
86N,N-DiethylacetamideNonpolar narcoticView
87Anthranilamide(2-aminobenzamide)Nonpolar narcoticView
882-Acetyl-1-methylpyrroleNonpolar narcoticView
892',3',4'-TrichloroacetophenoneNonpolar narcoticView
902',4'-DichloroacetophenoneNonpolar narcoticView
914-NitrophenylphenyletherNonpolar narcoticView
92TriphenylphosphineoxideNonpolar narcoticView
93TriphenylphosphateNonpolar narcoticView
94CarbontetrachlorideNonpolar narcoticView
95ChloroacetonitrileNonpolar narcoticView
96MalononitrileNonpolar narcoticView
971,2,4-TrichlorobenzeneNonpolar narcoticView
98Trans-3-Hexen-1-olNonpolar narcoticView
99N-PropylsulfideNonpolar narcoticView
100TolueneNonpolar narcoticView
1014-XyleneNonpolar narcoticView
102ButylsulfideNonpolar narcoticView
1031-BenzoylacetoneNonpolar narcoticView
104AcetaldoximeNonpolar narcoticView
1052-ButanoneoximeNonpolar narcoticView
106γ-DecanolactoneNonpolar narcoticView
1071-BromohexaneNonpolar narcoticView
1085-Methyl-2-hexanoneNonpolar narcoticView
1091-BromoheptaneNonpolar narcoticView
1102,3-BenzofuranNonpolar narcoticView
1111-BromooctaneNonpolar narcoticView
1122-MethylimidazoleNonpolar narcoticView
1132,4,5-TribromoimidazoleNonpolar narcoticView
1141-MethylpiperazineNonpolar narcoticView
1152,4,5-TrimethyloxazoleNonpolar narcoticView
116CyclohexanoneNonpolar narcoticView
1173,3-Dimethyl-2-butanoneNonpolar narcoticView
1182-Methyl-2,4-pentanediolNonpolar narcoticView
1191-(2-Aminioethyl)piperazineNonpolar narcoticView
120Methyl-4-chlorobenzoateNonpolar narcoticView
1211,6-DicyanohexaneNonpolar narcoticView
1223-MethylindoleNonpolar narcoticView
123FlavoneNonpolar narcoticView
1242-EthylpyridineNonpolar narcoticView
1252,4-Dimethyl-3-pentanolNonpolar narcoticView
1263-(3-Pyridyl)-1-propanolNonpolar narcoticView
1274-Chloro-3-methylphenolPolar narcoticView
128AnilinePolar narcoticView
1292-HydroxybenzamidePolar narcoticView
130DicumarolPolar narcoticView
1314-tert-PentylphenolPolar narcoticView
1322,4,6-TrichlorophenolPolar narcoticView
1332-HydroxybenzaldehydePolar narcoticView
1341-NaphtholPolar narcoticView
1352-PhenylphenolPolar narcoticView
1363,5-DibromosalicylaldehydePolar narcoticView
137SalicylaldoximePolar narcoticView
1382,4-DihydroxybenzaldehydePolar narcoticView
1392-MethylphenolPolar narcoticView
1402-ChloroanilinePolar narcoticView
1412-ChlorophenolPolar narcoticView
1424-tert-ButylphenolPolar narcoticView
143BenzylaminePolar narcoticView
144N-MethylanilinePolar narcoticView
1452-CyanopyridinePolar narcoticView
1464-AcetamidophenolPolar narcoticView
1474-ButylanilinePolar narcoticView
148NonylphenolPolar narcoticView
1492,4-DimethylphenolPolar narcoticView
1504-MethylphenolPolar narcoticView
1514-ChlorophenolPolar narcoticView
1524-MethylanilinePolar narcoticView
153ResorcinolPolar narcoticView
154PhenolPolar narcoticView
155PyridinePolar narcoticView
1562,4-DichlorophenolPolar narcoticView
1573-Ethoxy-4-hydroxybenaldehydePolar narcoticView
1583-Methoxy-4-hydroxybenaldehydePolar narcoticView
1594-EthylphenolPolar narcoticView
1602,6-Di(tert)butyl-4-methylphenolPolar narcoticView
161Phenyl-4-aminosalicylatePolar narcoticView
1623-MethoxysalicylaldehydePolar narcoticView
1633-MethoxyphenolPolar narcoticView
1644-MethoxyphenolPolar narcoticView
165α,α,α,4-Tetrafluoro-o-toluidinePolar narcoticView
1662,4,6-TrimethylphenolPolar narcoticView
1674-EthylanilinePolar narcoticView
1684-Ethoxy-2-nitroanilinePolar narcoticView
1693-AcetamidophenolPolar narcoticView
1704-PropylphenolPolar narcoticView
1713-Cyano-4,6-dimethyl-2-hydroxypyridinePolar narcoticView
1724-PhenoxyphenolPolar narcoticView
1732-Amino-5-bromopyridinePolar narcoticView
1744-AcetylpyridinePolar narcoticView
175Methyl-4-cyanobenzoatePolar narcoticView
1763-BenzyloxyanilinePolar narcoticView
1772-AllylphenolPolar narcoticView
178Methyl-2,4-dihydroxybenzoatePolar narcoticView
179α,α,α-Tetrafluoro-m-toluidinePolar narcoticView
1802,3,6-TrimethylphenolPolar narcoticView
1815-BromovanillinPolar narcoticView
182N-EthylbenzylaminePolar narcoticView
1834-OctylanilinePolar narcoticView
1846-Chloro-2-pyridinolPolar narcoticView
1852,6-DiisopropylanilinePolar narcoticView
1864-HexyloxyanilinePolar narcoticView
187Ethyl-4-aminobenzoatePolar narcoticView
188CarbazolePolar narcoticView
1892-Bromo-3-pyridinolPolar narcoticView
1902-Chloro-3-pyridinolPolar narcoticView
1912-Amino-4-chloro-6-methylpyrimidinePolar narcoticView
1925-BromosalicylaldehydePolar narcoticView
1935-ChlorosalicylaldehydePolar narcoticView
1942,4-DiaminotoulenePolar narcoticView
1953'-AminoacetophenonePolar narcoticView
1961,4-bis(3-Aminopropyl)piperazinePolar narcoticView
1972,2'-Methylenebis(3,4,6-trichlorophenol)Polar narcoticView
1982,3,4-TrichloroanilinePolar narcoticView
1992-Chloro-4-methylanilinePolar narcoticView
2003-Cyano-4,6-dimethyl-2-hydroxPolar narcoticView
201Phenyl-4-aminosalicylatePolar narcoticView
2023-BenzyloxyanilinePolar narcoticView
2032,4,6-TriiodophenolPolar narcoticView
2044,6-Dimethyl-2-hydroxybenzaldehydePolar narcoticView
2052,2'-Methylenebis(4-chlorophenol)Polar narcoticView
2062,4-DinitrophenolEster narcoticView
207HexylaldehydeEster narcoticView
208MethylacetateEster narcoticView
209DibutyladipateEster narcoticView
210DiethylsebacateEster narcoticView
2112-(Ethylamino)ethanolEster narcoticView
212DiethyladipateEster narcoticView
213DiethylbenzylmalonateEster narcoticView
214DiethylphthalateEster narcoticView
215DibutylphthalateEster narcoticView
216EthylbenzoateEster narcoticView
217PropylacetateEster narcoticView
218EthylhexanoateEster narcoticView
219ButylacetateEster narcoticView
220DimethylphthalateEster narcoticView
221EthylacetateEster narcoticView
222HexylacetateEster narcoticView
223(tert)ButylacetateEster narcoticView
224DiethylmalonateEster narcoticView
225IsovaleraldehydeEster narcoticView
226DimethylnitroterephthalateEster narcoticView
227DibutylsuccinateEster narcoticView
228DibutylisophthalateEster narcoticView
229PropylamineAmine narcoticView
230ButylamineAmine narcoticView
231AmylamineAmine narcoticView
232HexylamineAmine narcoticView
233HeptylamineAmine narcoticView
234OctylamineAmine narcoticView
235NonulamineAmine narcoticView
236DecylamineAmine narcoticView
237UndecylamineAmine narcoticView
238(+/-)-sec-ButylamineAmine narcoticView
2391,2-DiaminopropaneAmine narcoticView
2401,3-DiaminopropaneAmine narcoticView
241(+/-)-1,2-DimethylpropylamineAmine narcoticView
242PentachlorophenolRespiratory uncouplerView
2432,4-DinitroanilineRespiratory uncouplerView
2442,4,6-BromophenolRespiratory uncouplerView
2452,5-DinitrophenolRespiratory uncouplerView
2464,6-Dinitro-2-methylphenolRespiratory uncouplerView
2472,6-DinitrophenolRespiratory uncouplerView
248PentabromophenolRespiratory uncouplerView
2492,3,4,6-TetrachlorophenolRespiratory uncouplerView
2504-PhenylazophenolRespiratory uncouplerView
251PentachloropyridineRespiratory uncouplerView
2522,3,5,6-TetrachloroanilineRespiratory uncouplerView
2534-(tert)Butyl-2,6-dinitrophenolRespiratory uncouplerView
2542,3,4,5-TetrachlorophenolRespiratory uncouplerView
255AllylisothiocyanateElectrophileView
2562-Methyl-1,4-naphthquinoneElectrophileView
2574-PhenoxybenzaldehydeElectrophileView
258MethylmethacrylateElectrophileView
2591-Chloro-2-nitrobenzeneElectrophileView
260AllylmethacrylateElectrophileView
2612-MethylbuteraldehydeElectrophileView
2624-DimethlaminobenzaldhydeElectrophileView
2631,4-DinitrobenzeneElectrophileView
264BenzaldehydeElectrophileView
2654-ChlorobenzaldehydeElectrophileView
266IsobutylacrylateElectrophileView
2672-PropenalElectrophileView
2683-ButenenitrileElectrophileView
269ValeraldehydeElectrophileView
2704-Amino-2-nitrophenolElectrophileView
2712,4-NitrotolueneElectrophileView
2721-Chloro-3-nitrobenzeneElectrophileView
2732-Chloro-4-nitroanilineElectrophileView
2744-IsopropylbenzaldehydeElectrophileView
2752-MethylvaleraldehydeElectrophileView
2762,4-PentanedioneElectrophileView
277ButyraldehydeElectrophileView
278EthylacrylateElectrophileView
2792-AminoethanolElectrophileView
2801-Fluoro-4-nitrobenzeneElectrophileView
2812-FluorobenzaldehydeElectrophileView
2823-PyridincarboxaldehydeElectrophileView
2832-TolualdehydeElectrophileView
2842-NitrobenzaldehydeElectrophileView
2854-NitrobenzaldehydeElectrophileView
2862,4-DimethoxbenzaldehydeElectrophileView
287Methyl-4-nitrobenzoateElectrophileView
2884-NitrobenzamideElectrophileView
289PentafluorobenzaldehydeElectrophileView
290PentafluoroanilineElectrophileView
2912-HydroxyethylacrylateElectrophileView
2922-HydroxyethylmethacrylateElectrophileView
2932,4-DichlorobenzaldehydeElectrophileView
2942-HydroxypropylacrylateElectrophileView
295TetrachlorocatecholElectrophileView
2962-EthoxyethylmethacrylateElectrophileView
297BenzylmethacrylateElectrophileView
298N-HexylacrylateElectrophileView
299CyclohexylacrylateElectrophileView
3002,4,5-TrimethoxybenzaldehydeElectrophileView
301IsopropylmethacrylateElectrophileView
3022-Amino-5-chlorobenzonitrileElectrophileView
3031,3,5-Trichloro-2,4-dinitrobenzeneElectrophileView
3042-Chloro-5-nitrobenzaldehydeElectrophileView
3054-EthoxybenzaldehydeElectrophileView
3063-Hydroxy-2-nitropyridineElectrophileView
3071,3-Dichloro-4,6-dinitrobenzeneElectrophileView
3085-Hydroxy-2-nitrobenzaldehydeElectrophileView
309Methyl-2,5-dichlorobenzoateElectrophileView
3102,3-DibromopropanolElectrophileView
3113,5-Dibromo-4-hydroxybenzonitrileElectrophileView
3122,4-DichlorobenzamideElectrophileView
313DiethylchloromalonateElectrophileView
314N-VinylcarbazoleElectrophileView
3151,3-Dichloro-4,6-dinitrobenzeneElectrophileView
3162,2,2-TrichloroethanolElectrophileView
3172-ChloroethanolElectrophileView
3181-Chloro-2-propanolElectrophileView
3193-Chloro-1-propanolElectrophileView
3202,3,4,5,6-PentafluoroanilineElectrophileView
3212,2-DichloroacetamideElectrophileView
3222-Chloro-6-methylbenzonitrileElectrophileView
3234-DimethylaminocinnamaldehydeElectrophileView
3242-Propyn-1-olPro-electrophileView
3252-Butyn-1,4-diolPro-electrophileView
326CatecholPro-electrophileView
3272-Butyn-1-olPro-electrophileView
3283-Butyn-1-olPro-electrophileView
3292-Decyn-1-olPro-electrophileView
3303-Butyn-2-olPro-electrophileView
3311,5-hexadien-3-olPro-electrophileView
3321-Amino-2-propanolNucleophileView
333HexanoicacidNucleophileView
334TriethanolamineNucleophileView
3351-Amino-2-propanolNucleophileView
336DiethanolamineNucleophileView
337N,N-DiethylethanolamineNucleophileView