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

ID	Name	MOA	Details
1	Ethylcarbamate	Nonpolar narcotic	View
2	Benzamide	Nonpolar narcotic	View
3	Ethanol	Nonpolar narcotic	View
4	Methanol	Nonpolar narcotic	View
5	2-Propanol	Nonpolar narcotic	View
6	Acetone	Nonpolar narcotic	View
7	Dimethylsulfoxide	Nonpolar narcotic	View
8	1-Propanol	Nonpolar narcotic	View
9	1-Butanol	Nonpolar narcotic	View
10	1-Pentanol	Nonpolar narcotic	View
11	Acetonitrile	Nonpolar narcotic	View
12	2-Methyl-2-propanol	Nonpolar narcotic	View
13	2-Methyl-1-propanol	Nonpolar narcotic	View
14	2-Butanone	Nonpolar narcotic	View
15	Naphthalene	Nonpolar narcotic	View
16	Quinoline	Nonpolar narcotic	View
17	N,N-Diethylaniline	Nonpolar narcotic	View
18	Biphenyl	Nonpolar narcotic	View
19	Benzothiazole	Nonpolar narcotic	View
20	1,2-Dichlorobenzene	Nonpolar narcotic	View
21	3,4-Dichlorotoluene	Nonpolar narcotic	View
22	3-Pentanone	Nonpolar narcotic	View
23	Isopropylbenzene	Nonpolar narcotic	View
24	Acetophenone	Nonpolar narcotic	View
25	A,A-Dimethylbenzene propanol	Nonpolar narcotic	View
26	N,N-Dimethylbenzylamine	Nonpolar narcotic	View
27	N-Butylbenzene	Nonpolar narcotic	View
28	2-Ethyl-1-hexanol	Nonpolar narcotic	View
29	5-Ethyl-2-methylpyridine	Nonpolar narcotic	View
30	Propionitrile	Nonpolar narcotic	View
31	2-Pentanone	Nonpolar narcotic	View
32	4-Methyl-2-pentanone	Nonpolar narcotic	View
33	Bromobenzene	Nonpolar narcotic	View
34	4-Methylpyridine	Nonpolar narcotic	View
35	Cyclohexanol	Nonpolar narcotic	View
36	3-Methylpyridine	Nonpolar narcotic	View
37	2-Methylpyridine	Nonpolar narcotic	View
38	Pyrrole	Nonpolar narcotic	View
39	5-Methyl-2-hexanone	Nonpolar narcotic	View
40	2-Heptanone	Nonpolar narcotic	View
41	6-Methyl-5-hepten-2-one	Nonpolar narcotic	View
42	2-Octanone	Nonpolar narcotic	View
43	1-Hexanol	Nonpolar narcotic	View
44	1-Heptanol	Nonpolar narcotic	View
45	1-Octanol	Nonpolar narcotic	View
46	2-Undecanone	Nonpolar narcotic	View
47	Decylalcohol	Nonpolar narcotic	View
48	1-Tridecanol	Nonpolar narcotic	View
49	Benzophenone	Nonpolar narcotic	View
50	1,2,4-Trichlorobenzene	Nonpolar narcotic	View
51	N,N-Dimethylaniline	Nonpolar narcotic	View
52	Dibenzofuran	Nonpolar narcotic	View
53	1-Nonanol	Nonpolar narcotic	View
54	5-Nonanone	Nonpolar narcotic	View
55	2-Tolunitrile	Nonpolar narcotic	View
56	N-Amylbenzene	Nonpolar narcotic	View
57	3-Methyl-2-butanone	Nonpolar narcotic	View
58	2-Hexanone	Nonpolar narcotic	View
59	2-Tridecanone	Nonpolar narcotic	View
60	2-Decanone	Nonpolar narcotic	View
61	2-Nonanone	Nonpolar narcotic	View
62	Cis-3-Hexen-1-ol	Nonpolar narcotic	View
63	4-Phenylpyridine	Nonpolar narcotic	View
64	Octylcyanide	Nonpolar narcotic	View
65	Undecylcyanide	Nonpolar narcotic	View
66	5-Chloro-2-pyridinol	Nonpolar narcotic	View
67	1-Hexen-3-ol	Nonpolar narcotic	View
68	1,2-bis-(4-Pyridyl)-ethane	Nonpolar narcotic	View
69	2-Dimethylaminopyridine	Nonpolar narcotic	View
70	2-Dodecanone	Nonpolar narcotic	View
71	4-Bromophenyl-3-pyridylketone	Nonpolar narcotic	View
72	4-Benzoylpyridine	Nonpolar narcotic	View
73	6-Chloro-2-picoline	Nonpolar narcotic	View
74	Acrylamide	Nonpolar narcotic	View
75	Nitrobenzene	Nonpolar narcotic	View
76	3-Nitrotoluene	Nonpolar narcotic	View
77	Dibutylfumarate	Nonpolar narcotic	View
78	2-Methyl-3-butyn-2-ol	Nonpolar narcotic	View
79	Acetoneoxime	Nonpolar narcotic	View
80	2-Phenyl-3-butyn-2-ol	Nonpolar narcotic	View
81	4-Pentyn-2-ol	Nonpolar narcotic	View
82	3-Bromothiophene	Nonpolar narcotic	View
83	1,4-Dicyanobutane	Nonpolar narcotic	View
84	3-Methyl-1-pentyn-3-ol	Nonpolar narcotic	View
85	Cyclohexanoneoxime	Nonpolar narcotic	View
86	N,N-Diethylacetamide	Nonpolar narcotic	View
87	Anthranilamide(2-aminobenzamide)	Nonpolar narcotic	View
88	2-Acetyl-1-methylpyrrole	Nonpolar narcotic	View
89	2',3',4'-Trichloroacetophenone	Nonpolar narcotic	View
90	2',4'-Dichloroacetophenone	Nonpolar narcotic	View
91	4-Nitrophenylphenylether	Nonpolar narcotic	View
92	Triphenylphosphineoxide	Nonpolar narcotic	View
93	Triphenylphosphate	Nonpolar narcotic	View
94	Carbontetrachloride	Nonpolar narcotic	View
95	Chloroacetonitrile	Nonpolar narcotic	View
96	Malononitrile	Nonpolar narcotic	View
97	1,2,4-Trichlorobenzene	Nonpolar narcotic	View
98	Trans-3-Hexen-1-ol	Nonpolar narcotic	View
99	N-Propylsulfide	Nonpolar narcotic	View
100	Toluene	Nonpolar narcotic	View
101	4-Xylene	Nonpolar narcotic	View
102	Butylsulfide	Nonpolar narcotic	View
103	1-Benzoylacetone	Nonpolar narcotic	View
104	Acetaldoxime	Nonpolar narcotic	View
105	2-Butanoneoxime	Nonpolar narcotic	View
106	γ-Decanolactone	Nonpolar narcotic	View
107	1-Bromohexane	Nonpolar narcotic	View
108	5-Methyl-2-hexanone	Nonpolar narcotic	View
109	1-Bromoheptane	Nonpolar narcotic	View
110	2,3-Benzofuran	Nonpolar narcotic	View
111	1-Bromooctane	Nonpolar narcotic	View
112	2-Methylimidazole	Nonpolar narcotic	View
113	2,4,5-Tribromoimidazole	Nonpolar narcotic	View
114	1-Methylpiperazine	Nonpolar narcotic	View
115	2,4,5-Trimethyloxazole	Nonpolar narcotic	View
116	Cyclohexanone	Nonpolar narcotic	View
117	3,3-Dimethyl-2-butanone	Nonpolar narcotic	View
118	2-Methyl-2,4-pentanediol	Nonpolar narcotic	View
119	1-(2-Aminioethyl)piperazine	Nonpolar narcotic	View
120	Methyl-4-chlorobenzoate	Nonpolar narcotic	View
121	1,6-Dicyanohexane	Nonpolar narcotic	View
122	3-Methylindole	Nonpolar narcotic	View
123	Flavone	Nonpolar narcotic	View
124	2-Ethylpyridine	Nonpolar narcotic	View
125	2,4-Dimethyl-3-pentanol	Nonpolar narcotic	View
126	3-(3-Pyridyl)-1-propanol	Nonpolar narcotic	View
127	4-Chloro-3-methylphenol	Polar narcotic	View
128	Aniline	Polar narcotic	View
129	2-Hydroxybenzamide	Polar narcotic	View
130	Dicumarol	Polar narcotic	View
131	4-tert-Pentylphenol	Polar narcotic	View
132	2,4,6-Trichlorophenol	Polar narcotic	View
133	2-Hydroxybenzaldehyde	Polar narcotic	View
134	1-Naphthol	Polar narcotic	View
135	2-Phenylphenol	Polar narcotic	View
136	3,5-Dibromosalicylaldehyde	Polar narcotic	View
137	Salicylaldoxime	Polar narcotic	View
138	2,4-Dihydroxybenzaldehyde	Polar narcotic	View
139	2-Methylphenol	Polar narcotic	View
140	2-Chloroaniline	Polar narcotic	View
141	2-Chlorophenol	Polar narcotic	View
142	4-tert-Butylphenol	Polar narcotic	View
143	Benzylamine	Polar narcotic	View
144	N-Methylaniline	Polar narcotic	View
145	2-Cyanopyridine	Polar narcotic	View
146	4-Acetamidophenol	Polar narcotic	View
147	4-Butylaniline	Polar narcotic	View
148	Nonylphenol	Polar narcotic	View
149	2,4-Dimethylphenol	Polar narcotic	View
150	4-Methylphenol	Polar narcotic	View
151	4-Chlorophenol	Polar narcotic	View
152	4-Methylaniline	Polar narcotic	View
153	Resorcinol	Polar narcotic	View
154	Phenol	Polar narcotic	View
155	Pyridine	Polar narcotic	View
156	2,4-Dichlorophenol	Polar narcotic	View
157	3-Ethoxy-4-hydroxybenaldehyde	Polar narcotic	View
158	3-Methoxy-4-hydroxybenaldehyde	Polar narcotic	View
159	4-Ethylphenol	Polar narcotic	View
160	2,6-Di(tert)butyl-4-methylphenol	Polar narcotic	View
161	Phenyl-4-aminosalicylate	Polar narcotic	View
162	3-Methoxysalicylaldehyde	Polar narcotic	View
163	3-Methoxyphenol	Polar narcotic	View
164	4-Methoxyphenol	Polar narcotic	View
165	α,α,α,4-Tetrafluoro-o-toluidine	Polar narcotic	View
166	2,4,6-Trimethylphenol	Polar narcotic	View
167	4-Ethylaniline	Polar narcotic	View
168	4-Ethoxy-2-nitroaniline	Polar narcotic	View
169	3-Acetamidophenol	Polar narcotic	View
170	4-Propylphenol	Polar narcotic	View
171	3-Cyano-4,6-dimethyl-2-hydroxypyridine	Polar narcotic	View
172	4-Phenoxyphenol	Polar narcotic	View
173	2-Amino-5-bromopyridine	Polar narcotic	View
174	4-Acetylpyridine	Polar narcotic	View
175	Methyl-4-cyanobenzoate	Polar narcotic	View
176	3-Benzyloxyaniline	Polar narcotic	View
177	2-Allylphenol	Polar narcotic	View
178	Methyl-2,4-dihydroxybenzoate	Polar narcotic	View
179	α,α,α-Tetrafluoro-m-toluidine	Polar narcotic	View
180	2,3,6-Trimethylphenol	Polar narcotic	View
181	5-Bromovanillin	Polar narcotic	View
182	N-Ethylbenzylamine	Polar narcotic	View
183	4-Octylaniline	Polar narcotic	View
184	6-Chloro-2-pyridinol	Polar narcotic	View
185	2,6-Diisopropylaniline	Polar narcotic	View
186	4-Hexyloxyaniline	Polar narcotic	View
187	Ethyl-4-aminobenzoate	Polar narcotic	View
188	Carbazole	Polar narcotic	View
189	2-Bromo-3-pyridinol	Polar narcotic	View
190	2-Chloro-3-pyridinol	Polar narcotic	View
191	2-Amino-4-chloro-6-methylpyrimidine	Polar narcotic	View
192	5-Bromosalicylaldehyde	Polar narcotic	View
193	5-Chlorosalicylaldehyde	Polar narcotic	View
194	2,4-Diaminotoulene	Polar narcotic	View
195	3'-Aminoacetophenone	Polar narcotic	View
196	1,4-bis(3-Aminopropyl)piperazine	Polar narcotic	View
197	2,2'-Methylenebis(3,4,6-trichlorophenol)	Polar narcotic	View
198	2,3,4-Trichloroaniline	Polar narcotic	View
199	2-Chloro-4-methylaniline	Polar narcotic	View
200	3-Cyano-4,6-dimethyl-2-hydrox	Polar narcotic	View
201	Phenyl-4-aminosalicylate	Polar narcotic	View
202	3-Benzyloxyaniline	Polar narcotic	View
203	2,4,6-Triiodophenol	Polar narcotic	View
204	4,6-Dimethyl-2-hydroxybenzaldehyde	Polar narcotic	View
205	2,2'-Methylenebis(4-chlorophenol)	Polar narcotic	View
206	2,4-Dinitrophenol	Ester narcotic	View
207	Hexylaldehyde	Ester narcotic	View
208	Methylacetate	Ester narcotic	View
209	Dibutyladipate	Ester narcotic	View
210	Diethylsebacate	Ester narcotic	View
211	2-(Ethylamino)ethanol	Ester narcotic	View
212	Diethyladipate	Ester narcotic	View
213	Diethylbenzylmalonate	Ester narcotic	View
214	Diethylphthalate	Ester narcotic	View
215	Dibutylphthalate	Ester narcotic	View
216	Ethylbenzoate	Ester narcotic	View
217	Propylacetate	Ester narcotic	View
218	Ethylhexanoate	Ester narcotic	View
219	Butylacetate	Ester narcotic	View
220	Dimethylphthalate	Ester narcotic	View
221	Ethylacetate	Ester narcotic	View
222	Hexylacetate	Ester narcotic	View
223	(tert)Butylacetate	Ester narcotic	View
224	Diethylmalonate	Ester narcotic	View
225	Isovaleraldehyde	Ester narcotic	View
226	Dimethylnitroterephthalate	Ester narcotic	View
227	Dibutylsuccinate	Ester narcotic	View
228	Dibutylisophthalate	Ester narcotic	View
229	Propylamine	Amine narcotic	View
230	Butylamine	Amine narcotic	View
231	Amylamine	Amine narcotic	View
232	Hexylamine	Amine narcotic	View
233	Heptylamine	Amine narcotic	View
234	Octylamine	Amine narcotic	View
235	Nonulamine	Amine narcotic	View
236	Decylamine	Amine narcotic	View
237	Undecylamine	Amine narcotic	View
238	(+/-)-sec-Butylamine	Amine narcotic	View
239	1,2-Diaminopropane	Amine narcotic	View
240	1,3-Diaminopropane	Amine narcotic	View
241	(+/-)-1,2-Dimethylpropylamine	Amine narcotic	View
242	Pentachlorophenol	Respiratory uncoupler	View
243	2,4-Dinitroaniline	Respiratory uncoupler	View
244	2,4,6-Bromophenol	Respiratory uncoupler	View
245	2,5-Dinitrophenol	Respiratory uncoupler	View
246	4,6-Dinitro-2-methylphenol	Respiratory uncoupler	View
247	2,6-Dinitrophenol	Respiratory uncoupler	View
248	Pentabromophenol	Respiratory uncoupler	View
249	2,3,4,6-Tetrachlorophenol	Respiratory uncoupler	View
250	4-Phenylazophenol	Respiratory uncoupler	View
251	Pentachloropyridine	Respiratory uncoupler	View
252	2,3,5,6-Tetrachloroaniline	Respiratory uncoupler	View
253	4-(tert)Butyl-2,6-dinitrophenol	Respiratory uncoupler	View
254	2,3,4,5-Tetrachlorophenol	Respiratory uncoupler	View
255	Allylisothiocyanate	Electrophile	View
256	2-Methyl-1,4-naphthquinone	Electrophile	View
257	4-Phenoxybenzaldehyde	Electrophile	View
258	Methylmethacrylate	Electrophile	View
259	1-Chloro-2-nitrobenzene	Electrophile	View
260	Allylmethacrylate	Electrophile	View
261	2-Methylbuteraldehyde	Electrophile	View
262	4-Dimethlaminobenzaldhyde	Electrophile	View
263	1,4-Dinitrobenzene	Electrophile	View
264	Benzaldehyde	Electrophile	View
265	4-Chlorobenzaldehyde	Electrophile	View
266	Isobutylacrylate	Electrophile	View
267	2-Propenal	Electrophile	View
268	3-Butenenitrile	Electrophile	View
269	Valeraldehyde	Electrophile	View
270	4-Amino-2-nitrophenol	Electrophile	View
271	2,4-Nitrotoluene	Electrophile	View
272	1-Chloro-3-nitrobenzene	Electrophile	View
273	2-Chloro-4-nitroaniline	Electrophile	View
274	4-Isopropylbenzaldehyde	Electrophile	View
275	2-Methylvaleraldehyde	Electrophile	View
276	2,4-Pentanedione	Electrophile	View
277	Butyraldehyde	Electrophile	View
278	Ethylacrylate	Electrophile	View
279	2-Aminoethanol	Electrophile	View
280	1-Fluoro-4-nitrobenzene	Electrophile	View
281	2-Fluorobenzaldehyde	Electrophile	View
282	3-Pyridincarboxaldehyde	Electrophile	View
283	2-Tolualdehyde	Electrophile	View
284	2-Nitrobenzaldehyde	Electrophile	View
285	4-Nitrobenzaldehyde	Electrophile	View
286	2,4-Dimethoxbenzaldehyde	Electrophile	View
287	Methyl-4-nitrobenzoate	Electrophile	View
288	4-Nitrobenzamide	Electrophile	View
289	Pentafluorobenzaldehyde	Electrophile	View
290	Pentafluoroaniline	Electrophile	View
291	2-Hydroxyethylacrylate	Electrophile	View
292	2-Hydroxyethylmethacrylate	Electrophile	View
293	2,4-Dichlorobenzaldehyde	Electrophile	View
294	2-Hydroxypropylacrylate	Electrophile	View
295	Tetrachlorocatechol	Electrophile	View
296	2-Ethoxyethylmethacrylate	Electrophile	View
297	Benzylmethacrylate	Electrophile	View
298	N-Hexylacrylate	Electrophile	View
299	Cyclohexylacrylate	Electrophile	View
300	2,4,5-Trimethoxybenzaldehyde	Electrophile	View
301	Isopropylmethacrylate	Electrophile	View
302	2-Amino-5-chlorobenzonitrile	Electrophile	View
303	1,3,5-Trichloro-2,4-dinitrobenzene	Electrophile	View
304	2-Chloro-5-nitrobenzaldehyde	Electrophile	View
305	4-Ethoxybenzaldehyde	Electrophile	View
306	3-Hydroxy-2-nitropyridine	Electrophile	View
307	1,3-Dichloro-4,6-dinitrobenzene	Electrophile	View
308	5-Hydroxy-2-nitrobenzaldehyde	Electrophile	View
309	Methyl-2,5-dichlorobenzoate	Electrophile	View
310	2,3-Dibromopropanol	Electrophile	View
311	3,5-Dibromo-4-hydroxybenzonitrile	Electrophile	View
312	2,4-Dichlorobenzamide	Electrophile	View
313	Diethylchloromalonate	Electrophile	View
314	N-Vinylcarbazole	Electrophile	View
315	1,3-Dichloro-4,6-dinitrobenzene	Electrophile	View
316	2,2,2-Trichloroethanol	Electrophile	View
317	2-Chloroethanol	Electrophile	View
318	1-Chloro-2-propanol	Electrophile	View
319	3-Chloro-1-propanol	Electrophile	View
320	2,3,4,5,6-Pentafluoroaniline	Electrophile	View
321	2,2-Dichloroacetamide	Electrophile	View
322	2-Chloro-6-methylbenzonitrile	Electrophile	View
323	4-Dimethylaminocinnamaldehyde	Electrophile	View
324	2-Propyn-1-ol	Pro-electrophile	View
325	2-Butyn-1,4-diol	Pro-electrophile	View
326	Catechol	Pro-electrophile	View
327	2-Butyn-1-ol	Pro-electrophile	View
328	3-Butyn-1-ol	Pro-electrophile	View
329	2-Decyn-1-ol	Pro-electrophile	View
330	3-Butyn-2-ol	Pro-electrophile	View
331	1,5-hexadien-3-ol	Pro-electrophile	View
332	1-Amino-2-propanol	Nucleophile	View
333	Hexanoicacid	Nucleophile	View
334	Triethanolamine	Nucleophile	View
335	1-Amino-2-propanol	Nucleophile	View
336	Diethanolamine	Nucleophile	View
337	N,N-Diethylethanolamine	Nucleophile	View

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.

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