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Japanese TGx project: TG-GATEs (Genomics-Assisted Toxicity Evaluation System developed by the Toxicogenomics Project in Japan) The Toxicogenomics Project (TGP) has established a large-scale toxicogenomics database known as TG-GATEs The primary goal of the TGP was to create a gene expression database by using the Affymetrix GeneChips of 150 chemicals, mainly medical drugs and the main target organ was the liver. The TGP was completed in 2007. The entire system consists of a database, an analysis system, and a prediction system and is named as TG-Genomics-Assisted Toxicity Evaluation System. 1 2 3 (132 chemicals) download  excel file 
CASEINECSChemical NameSMILES
1401-55-4 215-753-2Tannic Acidc1c(cc(c(c1O)O)O)C(=O)Oc1cc(cc(c1O)O)C(=O)OC[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)OC(=O)c1cc(c(c(c1)OC(=O)c1cc(c(c(c1)O)O)O)O)O)OC(=O)c1cc(c(c(c1)OC(=O)c1cc(c(c(c1)O)O)O)O)O)OC(=O)c1cc(c(c(c1)OC(=O)c1cc(c(c(c1)O)O)O)O)O)OC(=O)c1cc(c(c(c1)OC(=O)c1cc(c(c(c1)O)O)O)O)O
15307-79-6 239-346-4Diclofenac Sodium[Na].OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl
15663-27-1 239-733-8Platinum, Diamminedichloro-, (Sp-4-2)-[Pt+2]([NH3])([Cl-])([Cl-])[NH3]
17230-88-5 241-270-1DanazolC[C@]12Cc3cnoc3C=C1CC[C@@H]4[C@@H]2CC[C@@]5(C)[C@H]4CC[C@@]5(O)C#C
1953-02-2 217-778-4TioproninC[C@@H](C(NCC(O)=O)=O)S
21829-25-4 244-598-3NifedipineCOC(=O)C1=C(C)NC(=C(C1c2ccccc2[N+](=O)[O-])C(=O)OC)C
22204-53-1 244-838-7NaproxenCOc1ccc2cc(ccc2c1)[C@H](C)C(=O)O
2438-32-6 219-450-6(±)-Chlorpheniramine Maleatec1cc([C@H](CCN(C)C)c2ccccn2)ccc1Cl.OC(\C=C/C(O)=O)=O
28911-01-5 249-307-3TriazolamCc1nnc2CN=C(c3ccccc3Cl)c4cc(Cl)ccc4n12
33419-42-0 251-509-1EtoposideCOc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)C(O[C@@H]4O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]4O)c6cc7OCOc7cc26
396-01-0 206-904-3TriamtereneNc1nc(N)c2nc(c(N)nc2n1)c3ccccc3
439-14-5 207-122-5DiazepamC=1(c2c(N(C)C(CN1)=O)ccc(c2)Cl)c1ccccc1
51-52-5 200-103-2PropylthiouracilCCCc1cc(=O)[nH]c(=S)[nH]1
51803-78-2 257-431-4NimesulideCS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-]
52-86-8 200-155-6HaloperidolOC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
5370-01-4 226-362-1Mexiletine HydrochlorideCl.c1c(C)c(OC[C@@H](C)N)c(C)cc1
551-06-4 208-990-81-Naphthyl Isothiocyanatec1ccc2c(c1)cccc2N=C=S
56-23-5 200-262-8Carbon TetrachlorideClC(Cl)(Cl)Cl
56-75-7 200-287-4Chloramphenicolc1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
57-41-0 200-328-6PhenytoinO=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3
58-33-3 200-375-2Promethazine HydrochlorideN1(c2c(Sc3c1cccc3)cccc2)CC(N(C)C)C.Cl
59865-13-3 611-907-1Cyclosporine[H][C@]1(NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC(=O)[C@]([H])([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@]([H])(C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C1=O)C(C)C
67-21-0 200-647-0Dl-2-Amino-4-(Ethylthio)Butyric AcidCCSCCC(N)C(=O)O
70374-39-9 Lornoxicamc12c(S(N(C)C(=C1O)C(Nc1ccccn1)=O)(=O)=O)cc(s2)Cl
73590-58-6 615-996-81h-Benzimidazole, 6-Methoxy-2-[[(4-Methoxy-3,5-Dimethyl-2-Pyridinyl)Methyl]Sulfinyl]-COc1ccc2nc([nH]c2c1)S(=O)Cc3ncc(C)c(OC)c3C
79902-63-9 616-751-8Butanoic Acid, 2,2-Dimethyl-, (1s,3r,7s,8s,8ar)-1,2,3,7,8,8a-Hexahydro-3,7-Dimethyl-8-[2-[(2r,4r)-Tetrahydro-4-Hydroxy-6-Oxo-2h-Pyran-2-Yl]Ethyl]-1-Naphthalenyl EsterCCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
80-77-3 201-307-4ChlormezanoneCN1C(c2ccc(Cl)cc2)S(=O)(=O)CCC1=O
86483-48-9 Ciprofloxacin HydrochlorideN1CCN(CC1)c1c(F)cc2c(n(cc(c2=O)C(O)=O)C2CC2)c1.Cl
91-64-5 202-086-7Coumarinc12c(ccc(o1)=O)cccc2
94-20-2 202-314-5ChlorpropamideCCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1
964-52-3 213-519-4Moxisylyte Hydrochloridec1(c(cc(C)c(c1)OC(C)=O)OCC[NH+](C)C)C(C)C.[ClH-]
97-77-8 202-607-8DisulfiramCCN(CC)C(=S)SSC(=S)N(CC)CC
Records:101:132 Back