Detailed information for compound 273450

Basic information

Technical information
  • TDR Targets ID: 273450
  • Name: 7-[4-[4-(2,3,4-trichlorophenyl)piperazin-1-yl ]butoxy]-3,4-dihydro-1H-quinolin-2-one
  • MW: 482.83 | Formula: C23H26Cl3N3O2
  • H donors: 1 H acceptors: 1 LogP: 5.27 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1ccc(c(c1Cl)Cl)Cl
  • InChi: 1S/C23H26Cl3N3O2/c24-18-6-7-20(23(26)22(18)25)29-12-10-28(11-13-29)9-1-2-14-31-17-5-3-16-4-8-21(30)27-19(16)15-17/h3,5-7,15H,1-2,4,8-14H2,(H,27,30)
  • InChiKey: VMJGTOMDTPGXDZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 7-[4-[4-(2,3,4-trichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydro-1H-quinolin-2-one
  • 7-[4-[4-(2,3,4-trichlorophenyl)piperazino]butoxy]-3,4-dihydrocarbostyril
  • 7-[4-[4-(2,3,4-trichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydrocarbostyril

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis c src tyrosine kinase 0.0136 0.3975 0.3975
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0104 0.2307 0.5787
Schistosoma mansoni aldo-keto reductase 0.0104 0.2307 0.3331
Echinococcus multilocularis tyrosine protein kinase Abl 0.0136 0.3975 0.3975
Schistosoma mansoni signal transduction protein lnk-related 0.006 0.0016 0.0023
Loa Loa (eye worm) TK/FER protein kinase 0.0077 0.0901 0.2235
Trichomonas vaginalis aldo-keto reductase, putative 0.0104 0.2307 0.5
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0104 0.2307 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0136 0.3975 0.3975
Trichomonas vaginalis aldo/keto reductase, putative 0.0104 0.2307 0.5
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0104 0.2307 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.0136 0.3975 0.3975
Loa Loa (eye worm) TK/FER protein kinase 0.0077 0.0901 0.2235
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0119 0.309 0.7765
Schistosoma mansoni hypothetical protein 0.006 0.0016 0.0023
Schistosoma mansoni tyrosine kinase 0.0136 0.3975 0.5739
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0104 0.2307 0.2307
Loa Loa (eye worm) TK/FER protein kinase 0.0077 0.0901 0.2235
Echinococcus multilocularis NCK adaptor protein 0.0119 0.309 0.309
Onchocerca volvulus 0.0077 0.0901 0.3863
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0136 0.3975 0.3975
Leishmania major prostaglandin f synthase, putative 0.0104 0.2307 0.5
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.006 0.0016 0.0016
Onchocerca volvulus 0.0077 0.0901 0.3863
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0104 0.2307 0.2307
Echinococcus multilocularis tyrosine protein kinase shark 0.0077 0.0901 0.0901
Schistosoma mansoni vav2 0.0062 0.0078 0.0113
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0104 0.2307 0.5
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0104 0.2307 0.5787
Echinococcus multilocularis tensin 0.006 0.0016 0.0016
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0119 0.309 0.7765
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0104 0.2307 0.2307
Loa Loa (eye worm) TK/FER protein kinase 0.0077 0.0901 0.2235
Brugia malayi Sex muscle abnormal protein 5 0.0119 0.309 0.7765
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0104 0.2307 0.2307
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.006 0.0016 0.0023
Echinococcus multilocularis SH2 motif 0.006 0.0016 0.0016
Echinococcus granulosus SH2 motif 0.006 0.0016 0.0016
Loa Loa (eye worm) oxidoreductase 0.0104 0.2307 0.5787
Onchocerca volvulus 0.0077 0.0901 0.3863
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0104 0.2307 0.2307
Schistosoma mansoni growth factor receptor-bound protein 0.0119 0.309 0.4461
Loa Loa (eye worm) hypothetical protein 0.0077 0.0901 0.2235
Onchocerca volvulus 0.0104 0.2307 1
Brugia malayi SH2 domain containing protein 0.0077 0.0901 0.2235
Trichomonas vaginalis aldo-keto reductase, putative 0.0104 0.2307 0.5
Echinococcus multilocularis suppressor of cytokine signaling 6 0.006 0.0016 0.0016
Echinococcus granulosus c src tyrosine kinase 0.0136 0.3975 0.3975
Onchocerca volvulus 0.0077 0.0901 0.3863
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.006 0.0016 0.0023
Echinococcus multilocularis phosphatidylinositol 3 kinase regulatory subunit 0.006 0.0016 0.0016
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0136 0.3975 0.5739
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0104 0.2307 0.2307
Trichomonas vaginalis aldo-keto reductase, putative 0.0104 0.2307 0.5
Brugia malayi Protein kinase domain containing protein 0.0077 0.0901 0.2235
Echinococcus granulosus SH2 domain containing protein 7 0.006 0.0016 0.0016
Echinococcus multilocularis SH2 motif 0.006 0.0016 0.0016
Loa Loa (eye worm) TK/FER protein kinase 0.0077 0.0901 0.2235
Leishmania major aldo-keto reductase-like protein 0.0104 0.2307 0.5
Echinococcus multilocularis tensin 0.006 0.0016 0.0016
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0136 0.3975 0.3975
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0104 0.2307 0.5
Brugia malayi Variant SH3 domain containing protein 0.0062 0.0078 0.0157
Onchocerca volvulus 0.0104 0.2307 1
Echinococcus granulosus aldo keto reductase 0.0104 0.2307 0.2307
Trichomonas vaginalis aldo-keto reductase, putative 0.0104 0.2307 0.5
Echinococcus multilocularis SHC transforming protein 3 0.006 0.0016 0.0016
Loa Loa (eye worm) oxidoreductase 0.0104 0.2307 0.5787
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0104 0.2307 0.2307
Schistosoma mansoni growth factor receptor-bound protein 0.0119 0.309 0.4461
Brugia malayi Protein kinase domain containing protein 0.0077 0.0901 0.2235
Trichomonas vaginalis aldo-keto reductase, putative 0.0104 0.2307 0.5
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0136 0.3975 0.3975
Onchocerca volvulus 0.0104 0.2307 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0104 0.2307 0.2307
Trichomonas vaginalis aldo/keto reductase, putative 0.0104 0.2307 0.5
Echinococcus multilocularis aldo keto reductase 0.0104 0.2307 0.2307
Echinococcus multilocularis tyrosine protein kinase Blk 0.0077 0.0901 0.0901
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0104 0.2307 0.2307
Echinococcus granulosus SH2 motif 0.006 0.0016 0.0016
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0077 0.0901 0.0901
Entamoeba histolytica aldose reductase, putative 0.0104 0.2307 1
Brugia malayi Variant SH3 domain containing protein 0.0119 0.309 0.7765
Echinococcus multilocularis tyrosine protein kinase Srms 0.0077 0.0901 0.0901
Onchocerca volvulus 0.0104 0.2307 1
Loa Loa (eye worm) TK protein kinase 0.0077 0.0901 0.2235
Echinococcus granulosus growth factor receptor bound protein 2 0.0119 0.309 0.309
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0136 0.3975 0.3975
Loa Loa (eye worm) TK/FER protein kinase 0.0077 0.0901 0.2235
Echinococcus granulosus SHC transforming protein 3 0.006 0.0016 0.0016
Onchocerca volvulus 0.0077 0.0901 0.3863
Echinococcus granulosus aldo keto reductase 0.0104 0.2307 0.2307
Entamoeba histolytica protein kinase, putative 0.006 0.0016 0.007
Trypanosoma cruzi aldo/keto reductase, putative 0.0104 0.2307 0.5
Echinococcus granulosus NCK adaptor protein 0.0119 0.309 0.309
Trichomonas vaginalis aldo/keto reductase, putative 0.0104 0.2307 0.5
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.006 0.0016 0.0016
Loa Loa (eye worm) oxidoreductase 0.0104 0.2307 0.5787
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0077 0.0901 0.0901
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0119 0.309 0.4461
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0136 0.3975 0.3975
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0104 0.2307 0.2307
Echinococcus granulosus tyrosine protein kinase Lyn 0.0136 0.3975 0.3975
Trypanosoma brucei aldo-keto reductase, putative 0.0104 0.2307 0.5
Mycobacterium ulcerans oxidoreductase 0.0104 0.2307 0.5
Echinococcus granulosus tyrosine kinase 0.0077 0.0901 0.0901
Echinococcus multilocularis 0.006 0.0016 0.0016
Echinococcus multilocularis tyrosine protein kinase Src42A 0.006 0.0016 0.0016
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0136 0.3975 0.3975
Brugia malayi Protein kinase domain containing protein 0.0077 0.0901 0.2235
Echinococcus granulosus tyrosine protein kinase Src42A 0.006 0.0016 0.0016
Echinococcus multilocularis signal transduction protein lnk realted 0.006 0.0016 0.0016
Echinococcus granulosus tyrosine protein kinase ABL1 0.0077 0.0901 0.0901
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0104 0.2307 0.2307
Schistosoma mansoni tyrosine-protein kinase zap-70 0.006 0.0016 0.0023
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0077 0.0901 0.0901
Entamoeba histolytica SH2 domain containing protein 0.006 0.0016 0.007
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0136 0.3975 0.3975
Schistosoma mansoni hypothetical protein 0.006 0.0016 0.0023
Loa Loa (eye worm) TK/FER protein kinase 0.0077 0.0901 0.2235
Echinococcus granulosus tyrosine protein kinase Blk 0.0077 0.0901 0.0901
Echinococcus multilocularis SH2 domain containing adapter protein F 0.006 0.0016 0.0016
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0104 0.2307 0.5
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0062 0.0078 0.0157
Echinococcus granulosus aldo keto reductase 0.0104 0.2307 0.2307
Schistosoma mansoni tyrosine kinase 0.0193 0.6926 1
Loa Loa (eye worm) oxidoreductase 0.0104 0.2307 0.5787
Echinococcus granulosus expressed conserved protein 0.006 0.0016 0.0016
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0104 0.2307 0.2307
Schistosoma mansoni tyrosine kinase 0.0136 0.3975 0.5739
Echinococcus granulosus aldehyde reductase 0.0074 0.073 0.073
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0104 0.2307 0.5787
Brugia malayi protein-tyrosine kinase 0.0077 0.0901 0.2235
Schistosoma mansoni tensin 0.006 0.0016 0.0023
Echinococcus granulosus tyrosine protein kinase Src42A 0.0136 0.3975 0.3975
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0104 0.2307 0.2307
Schistosoma mansoni GTPase activating protein 0.006 0.0016 0.0023
Brugia malayi Variant SH3 domain containing protein 0.0119 0.309 0.7765
Echinococcus granulosus tyrosine protein kinase Srms 0.0077 0.0901 0.0901
Echinococcus multilocularis SH2 domain containing protein 7 0.006 0.0016 0.0016
Loa Loa (eye worm) SRC-1 0.0136 0.3975 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0136 0.3975 0.3975
Loa Loa (eye worm) TK/ABL protein kinase 0.0077 0.0901 0.2235
Trichomonas vaginalis aldo-keto reductase, putative 0.0104 0.2307 0.5
Entamoeba histolytica SH2-protein kinase domain containing protein 0.006 0.0016 0.007
Schistosoma mansoni SH2A 0.006 0.0016 0.0023
Echinococcus multilocularis tyrosine kinase 0.0077 0.0901 0.0901
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.006 0.0016 0.0023
Schistosoma mansoni suppressor of cytokine signaling 0.006 0.0016 0.0023
Schistosoma mansoni tensin-related 0.006 0.0016 0.0023
Entamoeba histolytica aldose reductase, putative 0.0104 0.2307 1
Onchocerca volvulus 0.0077 0.0901 0.3863
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.006 0.0016 0.0016
Brugia malayi Protein kinase domain containing protein 0.0077 0.0901 0.2235
Schistosoma mansoni suppressor of cytokine signaling 0.006 0.0016 0.0023
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0136 0.3975 0.3975
Schistosoma mansoni aldo-keto reductase 0.0104 0.2307 0.3331
Schistosoma mansoni tyrosine kinase 0.0136 0.3975 0.5739
Echinococcus granulosus tyrosine protein kinase Src64B 0.0136 0.3975 0.3975
Loa Loa (eye worm) hypothetical protein 0.0119 0.309 0.7765
Trichomonas vaginalis aldo-keto reductase, putative 0.0104 0.2307 0.5
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0077 0.0901 0.3906
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0104 0.2307 0.5787
Trichomonas vaginalis aldo-keto reductase, putative 0.0104 0.2307 0.5
Schistosoma mansoni shc transforming protein 0.006 0.0016 0.0023
Echinococcus granulosus suppressor of cytokine signaling 6 0.006 0.0016 0.0016
Schistosoma mansoni tyrosine kinase 0.0077 0.0901 0.1301
Loa Loa (eye worm) TK/FER protein kinase 0.0077 0.0901 0.2235
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0104 0.2307 0.2307
Echinococcus granulosus SH2 domain containing adapter protein F 0.006 0.0016 0.0016
Echinococcus granulosus N chimaerin 0.006 0.0016 0.0016
Loa Loa (eye worm) oxidoreductase 0.0104 0.2307 0.5787
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0104 0.2307 0.2307
Echinococcus granulosus tyrosine protein kinase Fyn 0.0136 0.3975 0.3975
Trichomonas vaginalis aldo-keto reductase, putative 0.0104 0.2307 0.5
Toxoplasma gondii aldose reductase, putative 0.0104 0.2307 0.5
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.006 0.0016 0.0016
Mycobacterium tuberculosis Probable oxidoreductase 0.0104 0.2307 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0076 0.0823 0.1188
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0252 1 1
Echinococcus granulosus tyrosine kinase 0.0077 0.0901 0.0901
Onchocerca volvulus 0.0104 0.2307 1
Schistosoma mansoni nck2/grb4 0.0119 0.309 0.4461
Loa Loa (eye worm) hypothetical protein 0.0062 0.0078 0.0157
Echinococcus granulosus tensin C1 domain containing phosphatase 0.006 0.0016 0.0016
Echinococcus granulosus hypothetical protein 0.006 0.0016 0.0016
Echinococcus granulosus tyrosine protein kinase shark 0.0077 0.0901 0.0901
Echinococcus multilocularis suppressor of cytokine signaling 7 0.006 0.0016 0.0016
Schistosoma mansoni adapter molecule crk 0.0119 0.309 0.4461
Trypanosoma cruzi aldo-keto reductase 0.0104 0.2307 0.5
Brugia malayi hypothetical protein 0.0077 0.0901 0.2235
Loa Loa (eye worm) TK/FER protein kinase 0.0077 0.0901 0.2235
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0104 0.2307 0.2307
Echinococcus granulosus signal transduction protein lnk realted 0.006 0.0016 0.0016
Echinococcus granulosus tyrosine protein kinase Fyn 0.0136 0.3975 0.3975
Schistosoma mansoni tensin 0.006 0.0016 0.0023
Trichomonas vaginalis aldo-keto reductase, putative 0.0104 0.2307 0.5
Echinococcus multilocularis aldo keto reductase 0.0104 0.2307 0.2307
Echinococcus multilocularis SH2 motif 0.006 0.0016 0.0016
Giardia lamblia Aldose reductase 0.0104 0.2307 0.5
Schistosoma mansoni pol-related 0.0104 0.2307 0.3331
Onchocerca volvulus 0.0104 0.2307 1
Brugia malayi SRC-1 0.0136 0.3975 1
Echinococcus multilocularis aldehyde reductase 0.0074 0.073 0.073
Trypanosoma brucei prostaglandin f synthase 0.0104 0.2307 0.5
Brugia malayi Protein kinase domain containing protein 0.0077 0.0901 0.2235
Echinococcus granulosus tensin 0.006 0.0016 0.0016
Schistosoma mansoni tensin 0.006 0.0016 0.0023
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0136 0.3975 0.3975
Echinococcus granulosus phosphatidylinositol 3 kinase regulatory subunit 0.006 0.0016 0.0016
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.006 0.0016 0.0016
Schistosoma mansoni tensin-related 0.006 0.0016 0.0023
Echinococcus multilocularis N chimaerin 0.006 0.0016 0.0016
Trichomonas vaginalis aldo-keto reductase, putative 0.0104 0.2307 0.5
Schistosoma mansoni tyrosine kinase 0.0136 0.3975 0.5739
Echinococcus multilocularis growth factor receptor bound protein 2 0.0119 0.309 0.309
Loa Loa (eye worm) hypothetical protein 0.0104 0.2307 0.5787
Entamoeba histolytica aldose reductase, putative 0.0104 0.2307 1
Echinococcus granulosus hypothetical protein 0.0104 0.2307 0.2307
Trichomonas vaginalis aldo-keto reductase, putative 0.0104 0.2307 0.5
Giardia lamblia Aldose reductase 0.0104 0.2307 0.5
Echinococcus multilocularis aldo keto reductase 0.0104 0.2307 0.2307
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.006 0.0016 0.0016
Brugia malayi SH2 domain containing protein 0.0077 0.0901 0.2235
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0104 0.2307 0.2307
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0104 0.2307 0.2307
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0104 0.2307 0.2307
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0104 0.2307 0.2307
Echinococcus multilocularis aldo keto reductase 0.0104 0.2307 0.2307
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0104 0.2307 0.5
Brugia malayi Tyrosine-protein kinase abl-1 0.0136 0.3975 1
Echinococcus multilocularis suppressor of cytokine signaling 7 0.006 0.0016 0.0016
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0077 0.0901 0.0901
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0077 0.0901 0.0901
Loa Loa (eye worm) TK/FER protein kinase 0.0077 0.0901 0.2235
Echinococcus granulosus suppressor of cytokine signaling 7 0.006 0.0016 0.0016

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 6.4 uM kg-1 post-synaptic dopamine autoreceptor antagonist activity evaluated by inhibition of the apomorphine-induced stereotyped behavior in mice. ChEMBL. 9513593
ED50 (functional) = 6.4 uM kg-1 post-synaptic dopamine autoreceptor antagonist activity evaluated by inhibition of the apomorphine-induced stereotyped behavior in mice. ChEMBL. 9513593

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.