Detailed information for compound 1648339

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 306.354 | Formula: C17H22O5
  • H donors: 0 H acceptors: 2 LogP: 1.8 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)O[C@@H]1CC2C(=C)C(=O)O[C@@H]2[C@H]2O[C@@]2(CC/C=C/1\C)C
  • InChi: 1S/C17H22O5/c1-9-6-5-7-17(4)15(22-17)14-12(10(2)16(19)21-14)8-13(9)20-11(3)18/h6,12-15H,2,5,7-8H2,1,3-4H3/b9-6+/t12?,13-,14+,15-,17-/m1/s1
  • InChiKey: QMKVWBGFFNUWNW-NVOWOJSYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Loa Loa (eye worm) hypothetical protein 0.0129 0.1617 0.3818
Schistosoma mansoni jumonji/arid domain-containing protein 0.0062 0.0676 0.064
Onchocerca volvulus Huntingtin homolog 0.0129 0.1617 0.4635
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0041 0.0541
Echinococcus multilocularis expressed conserved protein 0.0097 0.1174 0.1174
Loa Loa (eye worm) hypothetical protein 0.0036 0.0311 0.0734
Onchocerca volvulus 0.0031 0.0249 0.0288
Echinococcus multilocularis lamin 0.0028 0.0206 0.0206
Echinococcus granulosus sterol regulatory element binding protein 0.0044 0.0432 0.0432
Echinococcus granulosus lysine specific demethylase 5A 0.0062 0.0676 0.0676
Echinococcus granulosus muscleblind protein 0.0157 0.2014 0.2014
Trichomonas vaginalis set domain proteins, putative 0.0249 0.3306 1
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0311 0.0688
Echinococcus multilocularis lysine specific demethylase 5A 0.0062 0.0676 0.0676
Echinococcus multilocularis JmjC domain containing protein 4 0.0017 0.0039 0.0039
Loa Loa (eye worm) jmjC domain-containing protein 0.0017 0.0039 0.0093
Loa Loa (eye worm) hypothetical protein 0.0017 0.0039 0.0093
Schistosoma mansoni GST class-mu 0.0082 0.0957 0.0921
Brugia malayi jmjC domain containing protein 0.0062 0.0676 0.1555
Plasmodium falciparum elongation factor 1-gamma, putative 0.0019 0.0071 0.0343
Echinococcus multilocularis glutathione S transferase 0.0063 0.0694 0.0694
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0019 0.0071 1
Trichomonas vaginalis glutaminyl-tRNA synthetase, putative 0.0063 0.0694 0.0911
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.0041 0.0541
Loa Loa (eye worm) hypothetical protein 0.0028 0.0199 0.0469
Echinococcus granulosus JmjC domain containing protein 4 0.0017 0.0039 0.0039
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0158 1
Onchocerca volvulus 0.0063 0.0694 0.1702
Echinococcus granulosus prostaglandin H2 D isomerase 0.0361 0.4882 0.4882
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0158 1
Echinococcus granulosus eukaryotic translation elongation factor 1 0.0019 0.0071 0.0071
Echinococcus granulosus glutathione S transferase 0.028 0.3733 0.3733
Loa Loa (eye worm) hypothetical protein 0.0019 0.0069 0.0164
Echinococcus multilocularis eukaryotic translation elongation factor 1 0.0019 0.0071 0.0071
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0041 0.0002
Echinococcus multilocularis Niemann Pick C1 protein 0.0104 0.1262 0.1262
Schistosoma mansoni jumonji/arid domain-containing protein 0.0062 0.0676 0.064
Echinococcus multilocularis glutathione S transferase 0.0019 0.0071 0.0071
Schistosoma mansoni hypothetical protein 0.0178 0.2311 0.228
Brugia malayi jmjC domain containing protein 0.0017 0.0039 0.0043
Brugia malayi jmjC domain containing protein 0.0062 0.0676 0.1555
Echinococcus multilocularis muscleblind protein 1 0.0157 0.2014 0.2014
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0019 0.0071 1
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0158 0.0325
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0249 0.021
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0249 0.0249
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0062 0.0676 0.0676
Schistosoma mansoni hypothetical protein 0.0043 0.0409 0.0371
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0019 0.0071 1
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0158 0.0325
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0206 0.0486
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0041 0.0096
Trypanosoma brucei elongation factor 1 gamma, putative 0.0019 0.0071 1
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0019 0.0071 1
Loa Loa (eye worm) IRE protein kinase 0.0315 0.4236 1
Trypanosoma brucei hypothetical protein, conserved 0.0019 0.0071 1
Echinococcus granulosus Niemann Pick C1 protein 0.0148 0.1886 0.1886
Echinococcus multilocularis glutathione S transferase 0.0082 0.0957 0.0957
Schistosoma mansoni hypothetical protein 0.0017 0.0041 0.0001
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0017 0.0039 0.0039
Echinococcus multilocularis glutathione S transferase 0.028 0.3733 0.3733
Loa Loa (eye worm) hypothetical protein 0.0017 0.0041 0.0096
Loa Loa (eye worm) MH2 domain-containing protein 0.0126 0.1571 0.3709
Echinococcus granulosus glutathione S transferase 0.0082 0.0957 0.0957
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0206 0.0486
Echinococcus multilocularis GPCR, family 2 0.0017 0.0041 0.0041
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0041 0.0046
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0041 0.0041
Echinococcus granulosus glutathione S transferase 0.0019 0.0071 0.0071
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0041 0.0081
Loa Loa (eye worm) hypothetical protein 0.0044 0.0432 0.1019
Brugia malayi Glutathione S-transferase 4 0.0063 0.0694 0.1596
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0158 0.5
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0069 0.5
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0158 0.0325
Echinococcus multilocularis lysine specific demethylase 6a 0.0017 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0157 0.2014 0.4754
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0041 0.0041
Echinococcus multilocularis jumonji domain containing 1A 0.0017 0.0039 0.0039
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0158 1
Leishmania major elongation factor-1 gamma 0.0019 0.0071 0.2659
Onchocerca volvulus 0.0028 0.0206 0.0153
Echinococcus multilocularis protein patched 0.0044 0.0432 0.0432
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0544 0.1241
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0069 0.0327
Loa Loa (eye worm) hypothetical protein 0.0052 0.0544 0.1284
Loa Loa (eye worm) hypothetical protein 0.0063 0.0694 0.1638
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0082 0.0957 0.2259
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0055 0.1199
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0055 0.1199
Loa Loa (eye worm) hypothetical protein 0.0157 0.2014 0.4754
Schistosoma mansoni hypothetical protein 0.0178 0.2311 0.228
Trypanosoma brucei elongation factor 1 gamma, putative 0.0019 0.0071 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0055 0.1199
Loa Loa (eye worm) hypothetical protein 0.0031 0.0249 0.0587
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0104 0.1262 0.2979
Echinococcus multilocularis glutathione S transferase 0.0019 0.0071 0.0071
Schistosoma mansoni hypothetical protein 0.0043 0.0409 0.0371
Loa Loa (eye worm) transcription factor SMAD2 0.0126 0.1571 0.3709
Echinococcus granulosus intermediate filament protein 0.0028 0.0206 0.0206
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0158 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0158 0.5
Echinococcus granulosus glutathione s transferase mu 0.0082 0.0957 0.0957
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0019 0.0071 1
Plasmodium vivax glutathione S-transferase, putative 0.0361 0.4882 1
Echinococcus granulosus serine:threonine protein kinase:endoribonuclease 0.0315 0.4236 0.4236
Brugia malayi Pre-SET motif family protein 0.0219 0.2882 0.6787
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0544 0.1241
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0158 1
Schistosoma mansoni patched 1 0.0044 0.0432 0.0394
Echinococcus multilocularis Niemann Pick C1 protein 0.0148 0.1886 0.1886
Loa Loa (eye worm) jmjC domain-containing protein 0.0017 0.0039 0.0093
Echinococcus multilocularis muscleblind protein 0.0157 0.2014 0.2014
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0041 0.0041
Schistosoma mansoni microtubule-associated protein tau 0.0726 1 1
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0019 0.0071 1
Echinococcus granulosus GPCR family 2 0.0017 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0025 0.0158 0.0373
Onchocerca volvulus Huntingtin homolog 0.0129 0.1617 0.4635
Schistosoma mansoni hypothetical protein 0.0017 0.0041 0.0001
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0069 0.2422
Schistosoma mansoni hypothetical protein 0.0036 0.0311 0.0273
Brugia malayi MH2 domain containing protein 0.0126 0.1571 0.3677
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0041 0.0097
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0158 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0041 0.0041
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.0041 0.0541
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0041 0.0541
Echinococcus granulosus phd:f box containing protein 0.0017 0.0039 0.0039
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0055 0.1199
Brugia malayi jmjC domain containing protein 0.0017 0.0039 0.0043
Echinococcus multilocularis musashi 0.0028 0.0206 0.0206
Brugia malayi glutathione transferase 0.0082 0.0957 0.222
Brugia malayi jmjC domain containing protein 0.0017 0.0039 0.0043
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0158 1
Echinococcus multilocularis glutathione S transferase 0.0082 0.0957 0.0957
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0249 0.021
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0158 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0206 0.0486
Echinococcus granulosus lamin 0.0028 0.0206 0.0206
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0105 0.1284 0.125
Brugia malayi Muscleblind-like protein 0.0157 0.2014 0.4728
Trichomonas vaginalis conserved hypothetical protein 0.0161 0.2064 0.5679
Brugia malayi Pre-SET motif family protein 0.0031 0.0249 0.054
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0062 0.0676 0.0676
Loa Loa (eye worm) hypothetical protein 0.0054 0.0572 0.1351
Schistosoma mansoni hypothetical protein 0.0017 0.0041 0.0001
Echinococcus granulosus Niemann Pick C1 protein 0.0104 0.1262 0.1262
Loa Loa (eye worm) jmjC domain-containing protein 0.0017 0.0039 0.0093
Mycobacterium ulcerans hypothetical protein 0.0025 0.0158 1
Onchocerca volvulus 0.0249 0.3306 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0041 0.0041
Echinococcus granulosus geminin 0.0178 0.2311 0.2311
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0544 0.1284
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0041 0.0144
Loa Loa (eye worm) hypothetical protein 0.0019 0.0069 0.0164
Loa Loa (eye worm) hypothetical protein 0.0129 0.1617 0.3818
Echinococcus multilocularis glutathione s transferase mu 0.0082 0.0957 0.0957
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0041 0.0041
Echinococcus granulosus Protein patched homolog 1 0.0044 0.0432 0.0432
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0017 0.0039 0.0039
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0249 0.0249
Echinococcus multilocularis protein dispatched 1 0.0051 0.052 0.052
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0019 0.0071 1
Plasmodium falciparum glutathione S-transferase 0.0082 0.0957 1
Schistosoma mansoni Glutathione S-transferase 28 kDa (GST 28) (GST class-mu) 0.0361 0.4882 0.4861
Onchocerca volvulus 0.0028 0.0206 0.0153
Echinococcus multilocularis phd:f box containing protein 0.0017 0.0039 0.0039
Echinococcus multilocularis prostaglandin H2 D isomerase 0.0361 0.4882 0.4882
Schistosoma mansoni hypothetical protein 0.0043 0.0409 0.0371
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0104 0.1262 0.2707
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0021 0.005
Loa Loa (eye worm) hypothetical protein 0.0017 0.0039 0.0093
Leishmania major elongation factor 1-gamma, putative 0.0019 0.0071 0.2659
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0158 1
Schistosoma mansoni glutathione-S-transferase 0.0082 0.0957 0.0921
Echinococcus multilocularis microtubule associated protein 2 0.0726 1 1
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0019 0.0071 1
Schistosoma mansoni serine/threonine protein kinase 0.0162 0.2078 0.2047
Echinococcus multilocularis sterol regulatory element binding protein 0.0044 0.0432 0.0432
Echinococcus granulosus glutathione S transferase 0.0019 0.0071 0.0071
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0158 1
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0019 0.0071 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0158 1
Echinococcus granulosus glutathione S transferase 0.0063 0.0694 0.0694
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0206 0.0439
Schistosoma mansoni lamin 0.0028 0.0206 0.0167
Echinococcus granulosus jumonji domain containing 1A 0.0017 0.0039 0.0039
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0019 0.0071 1
Brugia malayi jmjC domain containing protein 0.0017 0.0039 0.0043
Brugia malayi intermediate filament protein 0.0028 0.0206 0.0439
Loa Loa (eye worm) hypothetical protein 0.0025 0.0158 0.0373
Echinococcus multilocularis glutathione S-transferase 0.0082 0.0957 0.0957
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0041 0.0046
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0249 0.021
Echinococcus granulosus expressed conserved protein 0.0097 0.1174 0.1174
Loa Loa (eye worm) hypothetical protein 0.0025 0.0158 0.0373
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0041 0.0081
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0041 0.0047
Trichomonas vaginalis serine threonine-protein kinase, putative 0.0161 0.2064 0.5679
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0017 0.0041 0.0019
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0219 0.2882 0.6803
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.0676 0.1597
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0019 0.0071 1
Leishmania major hypothetical protein, conserved 0.0019 0.0071 0.2659
Echinococcus multilocularis lamin dm0 0.0028 0.0206 0.0206
Loa Loa (eye worm) hypothetical protein 0.0017 0.0039 0.0093
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0017 0.0041 0.0004
Plasmodium vivax elongation factor 1-gamma, putative 0.0019 0.0071 0.0065
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0158 1
Plasmodium vivax SET domain protein, putative 0.0031 0.0249 0.0432
Echinococcus granulosus lysine specific demethylase 6a 0.0017 0.0039 0.0039
Schistosoma mansoni jumonji domain containing protein 0.0062 0.0676 0.064
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0249 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0044 0.0432 0.1019
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0249 0.021
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0069 0.0062
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0019 0.0071 1
Brugia malayi CHE-14 protein 0.0044 0.0432 0.0974
Loa Loa (eye worm) hypothetical protein 0.0019 0.0069 0.0164
Schistosoma mansoni lamin 0.0028 0.0206 0.0167
Schistosoma mansoni intermediate filament proteins 0.0028 0.0206 0.0167
Brugia malayi Ribonuclease 2-5A family protein 0.0315 0.4236 1
Entamoeba histolytica protein kinase, putative 0.0315 0.4236 1
Schistosoma mansoni hypothetical protein 0.0017 0.0041 0.0001
Loa Loa (eye worm) hypothetical protein 0.0019 0.0069 0.0164
Loa Loa (eye worm) hypothetical protein 0.0019 0.0069 0.0164
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0232 0.0232
Brugia malayi Niemann-Pick C1 protein precursor 0.0104 0.1262 0.2944
Echinococcus multilocularis glutathione S transferase 0.0063 0.0694 0.0694
Echinococcus granulosus glutathione S transferase Mu 1 0.0082 0.0957 0.0957
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0019 0.0071 1
Entamoeba histolytica protein kinase, putative 0.0315 0.4236 1
Schistosoma mansoni elongation factor 1-gamma 0.0019 0.0071 0.0032
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0249 0.0249
Brugia malayi hypothetical protein 0.0129 0.1617 0.3787
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0041 0.0041
Echinococcus multilocularis glutathione S transferase 0.0082 0.0957 0.0957
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0041 0.0041
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0019 0.0071 1
Schistosoma mansoni hypothetical protein 0.0043 0.0409 0.0371
Brugia malayi isocitrate dehydrogenase 0.0017 0.0041 0.0047
Echinococcus multilocularis geminin 0.0178 0.2311 0.2311
Echinococcus multilocularis serine:threonine protein kinase:endoribonuclease 0.0315 0.4236 0.4236
Echinococcus granulosus lamin dm0 0.0028 0.0206 0.0206
Toxoplasma gondii elongation factor 1-gamma, putative 0.0019 0.0071 0.1506

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.533 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.364 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.361 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.309 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.257 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.845 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.835 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.822 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.797 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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